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DTSTART;TZID=America/Detroit:20180913T160000
DTEND;TZID=America/Detroit:20180913T170000
DTSTAMP:20260604T021359
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SUMMARY:MICDE/EEB Seminar: Murat Eren\, Department of Medicine\, University of Chicago
DESCRIPTION:Bio:  Dr. Murat Eren is an Assistant Professor in the department of Medicine and affiliated with the Marine Biological Laboratory at the University of Chicago. He received his B.S. from Canakkale Onsekiz Mart University in Turkey in 2002\, and his PhD from the University of New Orleans in 2001\, both in computer science. His research focuses on the diversity and functioning of microbial communities in environments ranging from the human gastrointestinal tract and oral cavity\, to sewages\, oceans\, and soils. He designs algorithms and experiments to better understand microbes and their ecology. He pursues interesting ecological and evolutionary questions\, with some particularly interesting insights from molecular data into what constitutes a population in the microbial world. \nInsights into ecology and evolution of microbial populations through single-amino acid variants\nNeither the mechanisms by which genomic heterogeneity emerges within naturally occurring microbial populations\, nor how it drives the partitioning of ecological niches are well understood. Yet the increasing number of environmental metagenomes with astonishing depth of sequencing offer new opportunities to investigate evolutionary processes acting upon them\, and link genomic variation to predicted tertiary structures of genes to gain biochemical insights. \nMICDE is co-sponsoring this seminar with the department of Ecology and Evolutionary Biology. If you would like to meet Dr. Murat during his visit please send an email to micde-events@umich.edu
URL:https://micde.umich.edu/event/micde-eeb-seminar-murat-eren-department-of-medicine-university-of-chicago/
LOCATION:MI
CATEGORIES:Featured Events,MICDE Seminar Series
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DTSTART;TZID=America/Detroit:20180416T160000
DTEND;TZID=America/Detroit:20180416T170000
DTSTAMP:20260604T021359
CREATED:20230905T171419Z
LAST-MODIFIED:20230905T171419Z
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SUMMARY:MICDE Seminar: Vladimir Druskin\, Scientific Advisor\, Schlumberger Doll Research
DESCRIPTION:Bio: Vladimir Druskin is an applied mathematician with expertise in several areas including numerical algorithms\, large scale numerical simulations\, computational linear algebra\, inverse problems\, model reduction\, computational geophysics\, subsurface and medical imaging\, electrical engineering and financial mathematics. Dr. Druskin got his Ph.D. from Lomonosov Moscow State University (MSU) focused on applied mathematics. He is currently a scientific advisor at Schlumberger Doll Research working in energy research and development with demonstrated successful history of leading large collaborative industrial-academic projects in mathematical modeling and data-processing. \nReduced order models\, networks\, and applications to modeling and imaging with waves\nGeophysical seismic exploration\, as well as radar and sonar imaging require the solution of large-scale forward and inverse problems for hyperbolic systems of equations.  In this talk\, I will show how model order reduction can be used to address some intrinsic difficulties of these problems.  In model order reduction\, one approximates the response (transfer function) of a large-scale dynamical system using a smaller system\, called the reduced order model (ROM).  We consider ROMs that capture properties of the large problem that are essential for imaging and that can be realized via sparse graph-Laplacian networks.  The ROMs are data-driven\, i.e.\, they learn the underlying PDE problem from the transfer function.  One of the better-known applications of our ROMs is the efficient discretization of PDE problems in unbounded domains.  Here I will focus on two recent applications: (i) Multiscale modeling of elastic wave propagation via network approximations\, with low communication and computational cost; (ii) A direct\, nonlinear acoustic imaging algorithm in strongly heterogeneous media\, where the ROM is used to manipulate the data in such a way that multiply scattered waves are separated from the single scattered ones. \nDr. Druskin is being hosted by Prof. Borcea (Mathematics) and Prof. Schotland (Mathematics & Physics). If you would like to meet him\, please send an email to micde-contact@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-vladimir-druskin-schlumberger-doll-research/
LOCATION:1360 East Hall\, 530 Church St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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DTSTART;TZID=America/Detroit:20180410T143000
DTEND;TZID=America/Detroit:20180410T153000
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SUMMARY:MICDE Seminar: Raul Radovitzky\, Department of Aeronautics and Astronautics\, Massachusetts Institute of Technology
DESCRIPTION:Bio: Raul Radovitzky is the Raymond L. Bisplinghoff Professor of Aeronautics and Astronautics at the Massachusetts Institute of Technology. He also serves as the Associate Director of the MIT Institute for Soldier Nanotechnologies\, where he also leads research efforts on Blast and Ballistic Protection. He received a Civil Engineer degree from the University of Buenos Aires in 1991\, A S. M. in Applied Mathematics from Brown University in 1995 and a Ph.D. in Aeronautical Engineering from the California Institute of Technology in 1998. His research interests are in the development of numerical methods for multi-scale modeling of complex material response as well as in the formulation and implementation of algorithms for large-scale simulation of the dynamic response of materials to extreme loading conditions with emphasis on material and structural failure. The methods his group has developed have led to significant advances in our understanding of the physical effects of blast waves on the brain. This has helped to develop strategies to protect against Traumatic Brain Injury. Dr. Radovitzky is an Associate Fellow of the American Institute of Aeronautics and Astronautics and a member of the National Football League Head\, Neck and Spine Injury Research Committee. \nExtension of the peridynamic theory of solids for the simulation of materials under extreme loadings\nThe prediction of material and structural failure remains one of the most difficult challenges in structural and solid mechanics. Complexity emerges from the fundamental multiscale aspect of the mechanics of fracture\, where the small-scale response is usually responsible for large-scale system damage and failure. In addition\, significant algorithmic challenges remain\, including the difficulty in representing fracture\, some fundamental numerical convergence issues in the presence of material damage; and computational robustness and scalability enabling large-scale simulations.\nIn this presentation\, I will describe our efforts on the investigation of the theory of peridynamics and its numerical implementation\, as a promising alternative approach for simulating extreme material response. Peridynamics is a relatively new\, nonlocal formulation of continuum mechanics based on integral equations. It includes a physical length scale and naturally supports the presence of discontinuities in the solution field. As part of our work in this area\, we have proposed an extended formulation of the state theory of peridynamics addressing some fundamental issues present in the original theory. Specifically\, we have found that unphysical energy modes that do not contribute to the strain energy are allowed in the original formulation\, which\, in turn\, are responsible for the numerical instabilities commonly observed in peridynamic particle discretizations. In order to address this issue\, we introduce an extension of the constitutive correspondence framework based on bond-level nonlinear strain measures of the Seth-Hill type\, in direct analogy to local measures of deformation in continuum mechanics. We show that the numerical instabilities are eliminated when the numerical discretization is based on the extended theory.\nIn addition\, we have explored different approaches for incorporating material damage and fracture within the context of peridynamics formulations. I will describe one approach based on continuum damage models and another one particularly suited for brittle fracture.\nThe algorithms resulting from a particle discretizations of the proposed extended peridynamics framework have been implemented in our research code ΣMIT. I will provide examples illustrating the key numerical properties of the method. In addition\, I will show numerical results that demonstrate the ability of the method to capture experimentally observed ballistic limit curves for ductile materials\, as well as realistic fracture patterns in brittle materials subjected to projectile impact loadings. \nProf. Radovitzky is being hosted by Prof. Garikipati (Mechanical Engineering). If you would like to meet with him\, please send an email to micde-contact@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-raul-radovitzky-mit/
LOCATION:Johnson Rooms\, Lurie Engineering Center\, 3rd Floor LEC 3213ABC\, 1221 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:MICDE Seminar Series
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DTSTART;TZID=America/Detroit:20180406T150000
DTEND;TZID=America/Detroit:20180406T160000
DTSTAMP:20260604T021359
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SUMMARY:CEE/MICDE Seminar: Khachik Sargsyan\, Sandia National Laboratories
DESCRIPTION:Bio: Khachik Sargsyan is a Principal Member of Technical Staff at Sandia National Laboratories (SNL) in Livermore\, CA. Before staff and postdoctoral positions at SNL\, he received his Ph.D. in Applied and Interdisciplinary Mathematics from University of Michigan\, Ann Arbor\, in 2007. His Bachelors degree\, awarded in 2002\, is in Applied Math and Physics from Moscow Institute of Physics and Technology. Dr. Sargsyan’s research evolves around uncertainty quantification (UQ) and predictability analysis of physical and computational models. He has developed and applied methods for model reduction\, UQ and data assimilation\, targeting fundamental challenges such as structural errors\, intrinsic stochasticity\, high-dimensionality\, limited data\, discontinuities and rare events\, with applications in climate modeling\, chemical kinetics\, hardware architecture simulators and turbulent combustion. He is one of the lead developers of UQTk (www.sandia.gov/uqtoolkit)\, a lightweight C++/Python software toolkit for quantification of uncertainties in model predictions.\n \nDr. Sargsyan is being hosted by Prof. Ivanov (Civil and Env. Engineering). If you would like to meet him\, please send an email to Chase Dwelle at dwellem@umich.edu \nProbabilistic Methods for Uncertainty Quantification in Computational Models\nOver the last decade\, improved measurement capabilities and computational resources have led to significant algorithmic developments toward efficient uncertainty quantification (UQ) for computational models. Such models of physical systems often involve input parameters that exhibit certain degree of uncertainty. Estimation and propagation of these uncertainties are crucial for model validation\, computational/experimental design and decision making. ​This talk will focus on probabilistic methods with emphasis on Polynomial Chaos (PC) expansions as a means for functional representation of random variables. The talk will highlight the use of PC methods both for forward propagation of uncertainties and for inverse problems\, such as parameter estimation via Bayesian inference. I will list associated major challenges\, including the curse of dimensionality and model structural error estimation\, in the context of computationally expensive models of physical systems. Both fundamental and more recent methods will be introduced and demonstrated\, impacting a wide range of applications\, such as climate modeling\, turbulent combustion and chemical kinetics.
URL:https://micde.umich.edu/event/cee-micde-seminar-khachik-sargsyan-sandia-national-laboratories/
LOCATION:1311 EECS\, 1301 Beal Ave.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:MICDE Seminar Series,Seminar
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180406T150000
DTEND;TZID=America/Detroit:20180406T160000
DTSTAMP:20260604T021359
CREATED:20230905T171419Z
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SUMMARY:AIM Seminar: Christoph Börgers\, Mathematics\, Tufts University
DESCRIPTION:Bio: Christoph Börgers is a Professor of Mathematics at Tufts University. He got his Ph.D. under Prof. Charles Peskin at the Courant Institute of Mathematical Sciences\, in 1985. Prof. Börgers was a professor in the University of Michigan department of Mathematics until 1996 when he moved to Tufts. His expertise is in mathematical neuroscience\, applied dynamical systems\, numerical analysis\, scientific computing\, and during the past decade\, most of his work has been in the area of Computational Neuroscience. \nRhythms in neuronal networks with recurrent excitation\nInteracting excitatory and inhibitory neuronal populations often generate oscillations in electrical fields in the brain. I will briefly review this mechanism and the reasons to believe that it is important in brain function. Most of the talk will be focused on the effects of recurrent excitation\, i.e.\, of the neurons of a local network in the brain exciting each other. Recurrent excitation can sustain activity in a network that would otherwise be quiescent; this is believed to be the basis of working memory. It can also lead to a runaway process\, with excitation generating more excitation etc.\, much as the presence of a quadratic term on the right-hand side of a differential equation can lead to blow-up in finite time; this may be related to epileptic seizures. For model problems\, we prove that abrupt transitions to runaway activity require recurrent excitation with fast kinetics\, while working memory activity is more robust with recurrent excitation with slow kinetics. \nProf. Börgers is being hosted by Prof. Robert Krasny (Mathematics).
URL:https://micde.umich.edu/event/aim-seminar-christoph-borgers-mathematics-tufts-university/
LOCATION:1084 East Hall\, 530 Church St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180402T140000
DTEND;TZID=America/Detroit:20180402T150000
DTSTAMP:20260604T021359
CREATED:20230905T171419Z
LAST-MODIFIED:20230905T171419Z
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SUMMARY:MICDE Seminar: Amanda Randles\, Department of Biomedical Engineering\, Duke University
DESCRIPTION:Bio: Amanda Randles is an assistant professor of Biomedical Engineering at Duke University. She has courtesy appointments in the departments of Mechanical Engineering and Material Science\, Computer Science and Mathematics\, and is a member of the Duke Cancer Institute. She got her Ph.D. from Harvard University in 2013\, and has been the recipient of the Lawrence Fellowship (Lawrence Livermore National Lab.)\, the Anita Borg Memorial Scholarship (Google)\, and the George Michael Memorial High Performance Computing Fellowship (ACM/IEEE) among many accomplishments in her early career. Her research in biomedical simulation and high performance computing focuses on the development of new computational tools that she uses to provide insight into the localization and development of human diseases ranging from atherosclerosis to cancer. \nMassively Parallel Simulations of Hemodynamics in the Human Vasculature\nThe recognition of the role hemodynamic forces have in the localization and development of disease has motivated large-scale efforts to enable patient-specific simulations. When combined with computational approaches that can extend the models to include physiologically accurate hematocrit levels in large regions of the circulatory system\, these image-based models yield insight into the underlying mechanisms driving disease progression and inform surgical planning or the design of next generation drug delivery systems. Building a detailed\, realistic model of human blood flow\, however\, is a formidable mathematical and computational challenge. The models must incorporate the motion of fluid\, intricate geometry of the blood vessels\, continual pulse-driven changes in flow and pressure\, and the behavior of suspended bodies such as red blood cells. In this talk\, I will discuss the development of HARVEY\, a parallel fluid dynamics application designed to model hemodynamics in patient-specific geometries. I will cover the methods introduced to reduce the overall time-to-solution and enable near-linear strong scaling on up to 1\,572\,864 core of the IBM Blue Gene/Q supercomputer. Finally\, I will present the expansion of the scope of projects to address not only vascular diseases\, but also treatment planning and the movement of circulating tumor cells in the bloodstream. \nProf. Randles is being hosted by Dr. Carrasco-Teja (MICDE). If you would like to meet her during her visit please send an email to mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-amanda-randles-duke-university/
LOCATION:Johnson Rooms\, Lurie Engineering Center\, 3rd Floor LEC 3213ABC\, 1221 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180330T140000
DTEND;TZID=America/Detroit:20180330T150000
DTSTAMP:20260604T021359
CREATED:20230905T171419Z
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SUMMARY:MICDE Seminar: Michael Falk\, Department of Materials Science and Engineering\, Johns Hopkins University
DESCRIPTION:Bio: Michael Falk is a professor of Materials Science and Engineering at Johns Hopkins University where he also serves as the Vice Dean for Undergraduate Education. He holds a bachelor’s degree in physics and a master’s degree in Computer Science from Johns Hopkins. He completed his Ph.D. in physics at the University of California\, Santa Barbara and then launched his academic career as a computational materials scientist at the University of Michigan in 2000. In 2008 he returned to Johns Hopkins as an associate professor of Materials Science and Engineering with joint appointments in Mechanical Engineering and Physics. Prof. Falk’s research focuses on utilizing computer simulation on the atomic scale to understand the processes by which materials are pushed out of equilibrium by processes such as bending\, breaking\, charging and undergoing frictional sliding. His research has had an abiding focus on the ways glass structures accommodate plastic flow\, deformation and fracture. These investigations have involved developing new methodologies for deploying molecular dynamics simulations and the development of thermodynamically motivated constitutive theories. Prof. Falk also engages in educational research and is a strong advocate for diversity and inclusion\, engaging in outreach to Baltimore City elementary schools and advocating for a welcoming climate for LGBTQ people within the engineering and physics professions. \nConnecting atomistic simulations\, defect-based theories and continuum plasticity in amorphous solids\nGlasses\, and the more general category of materials known as amorphous solids\, lack crystal structure and find wide application from consumer goods to photovoltaics. Yet\, issues quantifying disorder have stymied the construction of physically grounded mechanical constitutive laws for these materials suitable for failure prediction. Atomistic simulation methods can provide some insight regarding the mechanisms of plastic deformation and strain localization. Recent investigations have aimed at quantifying the defects that control plastic flow by quantifying a yield stress field at the nanometer scale. Analysis of these fields have confirmed some of the assumptions built into the shear transformation zone theory of amorphous plasticity\, most notably the orientational nature of the defect and their pre-existence in the structure. I will further discuss methods for quantitatively predicting strain localization\, a limiting failure process in high-strength metallic glasses and other amorphous materials by parameterizing the effective-temperature shear transformation zone theory from molecular dynamics simulations. We have directly cross-compared molecular dynamics simulations and continuum representations of these same materials in order to test and validate our constitutive theories. The role of coarse graining in the linkage of continuum and atomistic methods is crucial\, and convergence only arises above a critical length scale on the order of tens of angstroms. The investigation makes clear the need to separate out the relevant fluctuations in material structure from the shorter wavelength fluctuations that serve to obscure them. It is\, in the end\, the interactions between these larger-scale relevant fluctuations via the material’s mechanical response that controls the failure process during strain localization. \nProf. Falk is being hosted by Prof. Yue Fan (Mechanical Engineering). If you would like to meet him during his visit please email micde-contact@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-michael-falk-hopkins/
LOCATION:1303 EECS\, 1301 Beal Ave\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180322T080000
DTEND;TZID=America/Detroit:20180322T170000
DTSTAMP:20260604T021359
CREATED:20230905T171418Z
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SUMMARY:Computation: A Pillar of Science and a Lens to the Future — the 2018 MICDE Symposium
DESCRIPTION:The Michigan Institute for Computational Discovery and Engineering 2018 Symposium will feature eminent scientists from around the world and the U-M campus. The symposium this year will show how computational science is leading the research at all scales in our lives\, from the molecular level to the sky. \nVisit the Symposium page for more details. \nPlease register if you plan to attend. \n\n\n\n\n\n\n\n\n\n\n\n\n\n\nSPEAKERS\n\n\n\n\n\n\n\n\n\n\nGuruduth Banavar\nChief Technology Officer\nViome \n\n\n\n\n\n\n\n\n\n\n\nCynthia Chestek\nAssistant Professor\, Biomedical Engineering and EECS\nUniversity of Michigan \n\n\n\n\n\n\n\n\n\n\n\nAlison Marsden\nPrincipal Investigator\, Cardiovascular Biomechanics Computation Lab\nStanford University \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nCleve Moler\nCofounder and Chief Mathematician\nMathWorks \n\n\n\n\n\n\n\n\n\n\n\nRaju Namburu\nChief\, Computational and Information Sciences Directorate\nArmy Research Lab \n\n\n\n\n\n\n\n\n\n\n\nStephen Smith\nAssistant Professor\, Ecology and Evolutionary Biology\nUniversity of Michigan \n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\nBeth Wingate\nProfessor\, Mathematics\nUniversity of Exeter \n\n\n\n\n\n\n\n\n\nPOSTER COMPETITION\nThe symposium will include a poster competition highlighting outstanding computational work from U-M students and postdocs. First place is awarded $500\, and second and third places win $250.
URL:https://micde.umich.edu/event/computation-a-pillar-of-science-and-a-lens-to-the-future-the-2018-micde-symposium/
LOCATION:Rackham Amphitheatre\, 915 E. Washington St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Conference,Featured Events,MICDE Seminar Series
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180309T150000
DTEND;TZID=America/Detroit:20180309T160000
DTSTAMP:20260604T021359
CREATED:20230905T171418Z
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SUMMARY:MICDE Seminar: Michael Shelley\, Courant Institute\, New York University
DESCRIPTION:Bio: Michael J. Shelley is an American applied mathematician who works on the modeling and simulation of complex systems arising in physics and biology. He holds a BA in Mathematics from the University of Colorado (1981) and a PhD in Applied Mathematics from the University of Arizona (1985). He was a postdoctoral researcher at Princeton University\, and then joined the faculty of mathematics at the University of Chicago. In 1992 he joined the Courant Institute of Mathematical Sciences at New York University where he is the George and Lilian Lyttle Professor of Applied Mathematics. He is also a Professor of Neuroscience (NYU) and Professor of Mechanical Engineering (NYU-Poly). \nProfessor Shelley’s work includes free-boundary problems in fluids and materials science\, singularity formation in partial differential equations\, modeling visual perception in the primary visual cortex\, dynamics of complex and active fluids\, cellular biophysics\, and fluid-structure interaction problems such as the flapping of flags\, stream-lining in nature\, and flapping flight. He is also the co-founder and co-director of the Courant Institute’s Applied Mathematics Lab. \nSource https://en.wikipedia.org/wiki/Michael_Shelley_(mathematician) \nModeling and Simulating Active Mechanics in the Cell\nMany fundamental phenomena in eukaryotic cells — nuclear migration\, spindle positioning\, chromosome segregation — involve the interaction of (often transitory) cellular structures with boundaries and fluids. Understanding the consequences of these interactions require specialized numerical methods for their large-scale simulation\, as well as mathematical modeling and analysis. In this context\, I will discuss the recent interactions of mathematical modeling and large-scale\, detailed simulations with experimental measurements of activity-driven Biomechanical processes within the cell.
URL:https://micde.umich.edu/event/micde-seminar-michael-shelley-courant-institute-new-york-university/
LOCATION:1084 East Hall\, 530 Church St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:MICDE Seminar Series
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DTSTART;TZID=America/Detroit:20180220T140000
DTEND;TZID=America/Detroit:20180220T150000
DTSTAMP:20260604T021359
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LAST-MODIFIED:20230905T171418Z
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SUMMARY:MICDE Seminar: Heather Mayes\, Chemical Engineering\, University of Michigan
DESCRIPTION:Bio: Heather Mayes is an Assistant Professor in the Department of Chemical Engineering. Her research group uses multi-scale modeling to discover protein-sugar interactions and to harness them for renewable energy and improved health. The study of carbohydrate-protein interactions is an important step to create renewable fuels and chemicals from non-food biomass\, and the results can be applied to several human diseases\, including cancer and autoimmune disorders. Prof. Mayes uses computational tools in her research\, including quantum mechanics\, molecular dynamics\, and rare-event sampling methods. She collaborates with experimental groups to understand past and guide future wet-lab studies to advance renewable chemicals and fuels\, as well as disease understanding. \nSimulating Protein-Carbohydrate Interactions to Bridge the Gap Between Human Chemical Intuition and Molecular Biophysics\nIn complex reacting systems\, it can be exceedingly difficult\, or even impossible\, to tease out elementary reaction mechanisms from wet-lab data alone\, due to data convolution resulting from the multiple reacting steps and competing reactions that simultaneously occur. The systems that the Mayes group studies (multiple types of protein-carbohydrate interactions) certainly fall into this category\, with understanding further hindered by the conformational\, stereochemical\, and regiochemical degrees of freedom key to chemical reactions in these systems. Yet\, understanding these elementary mechanisms would not only help answer fundamental questions in biology\, but also improve our ability to harness these systems for applications from renewable energy to pharmaceutical interventions. I will discuss several systems that we are studying\, and focus on our investigations of how enzymes break down plant biomass. I will share how our computational research rationalizes non-intuitive wet-lab observations by revealing mechanisms that do not conform to human intuition. In doing so\, we gather lessons from how nature has evolved efficient enzymes that we can then apply to rational enzyme design.
URL:https://micde.umich.edu/event/micde-seminar-heather-mayes-chemical-engineering-university-of-michigan/
LOCATION:NCRC10 ACR2\, 2800 Plymouth Rd\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180208T140000
DTEND;TZID=America/Detroit:20180208T150000
DTSTAMP:20260604T021359
CREATED:20230905T171417Z
LAST-MODIFIED:20230905T171417Z
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SUMMARY:MICDE Seminar: Dominika Zgid\, Chemistry\, University of Michigan
DESCRIPTION:Bio: Dominika Zgid is an assistant professor of Chemistry at the University of Michigan. She received her Ph.D. from the University of Waterloo\, Canada\, in 2008. Since starting at Michigan\, she has received a DOE Early Career Award in 2013 and an NSF Career Award in 2015. \nHer main interests are at the interface of theoretical chemistry and condensed matter physics with a major focus on designing new\, systematically improvable and controlled computational methods that can be used to study strongly correlated molecules and materials. She has worked on a variety of topics\, such as a molecular version of density matrix renormalization group\, solvers for dynamical mean field theory using explicit bath formulation\, conserving Green’s function methods for weakly correlated systems and the development of the self-energy embedding theory. \nTowards Accurate Quantum-Mechanical Calculations beyond Density Functional Theory on Large Systems\nWe present a detailed discussion of self-energy embedding theory (SEET) which is a quantum embedding scheme allowing us to describe a chosen subsystem very accurately while keeping the description of the environment at a lower cost. We apply SEET to molecular examples where commonly our chosen subsystem is made out of a set of strongly correlated orbitals while the weakly correlated orbitals constitute an environment. Such a self-energy separation is very general and to make this procedure applicable to multiple systems a detailed and practical procedure for the evaluation of the system and environment self-energy is necessary. We list all the intricacies for one of the possible procedures while focusing our discussion on many practical implementation aspects such as the choice of best orbital basis\, impurity solver\, and many steps necessary to reach chemical accuracy. \nFinally\, on a set of carefully chosen molecular examples\, we demonstrate that SEET\, which is a controlled\, systematically improvable Green’s function method can be as accurate as established wavefunction quantum chemistry methods.
URL:https://micde.umich.edu/event/micde-seminar-dominika-zgid-chemistry-university-of-michigan/
LOCATION:CHEM 1706\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180124T150000
DTEND;TZID=America/Detroit:20180124T160000
DTSTAMP:20260604T021359
CREATED:20230905T171417Z
LAST-MODIFIED:20260525T001342Z
UID:10000104-1516806000-1516809600@micde.umich.edu
SUMMARY:MICDE Seminar: Jesse Capecelatro\, Department of Mechanical Engineering\, University of Michigan
DESCRIPTION:Bio: Professor Capecelatro is interested in developing large-scale simulation capabilities for prediction and design of the complex multi-physics and multiphase flows relevant to energy and the environment. To achieve this\, his group develops robust and scalable numerical methods to leverage world-class supercomputing resources. His current research projects are focused on adjoint-based methods applied to turbulent combustion\, modeling strongly-coupled particle-laden flows\, and understanding interactions between electrostatics and turbulence in atmospheric clouds. \nPrior to joining the mechanical engineering department at the University of Michigan in 2016\, Dr. Capecelatro was a research scientist at the Center for Exascale Simulation of Plasma-coupled Combustion (XPACC) at the University of Illinois Urbana-Champaign. He received a B.S. in mechanical engineering from SUNY Binghamton in 2009\, and two years later completed a M.S. in mechanical engineering from the University of Colorado Boulder\, where he performed research in collaboration with the National Renewable Energy Laboratory on numerical modeling of fluidized bed reactors. In 2014 he received a Ph.D. from Cornell University under the guidance of Prof Olivier Desjardins\, where his thesis focused on high performance computing of turbulent multiphase flows. He spent the summer following his Ph.D. as a visiting postdoc at the Institut de Mécanique des Fluides de Toulouse and École Centrale Paris focusing on fundamental and numerical studies of particle-induced turbulence. \nTowards Accurate and Tractable Methods of Disperse Multiphase Flows in Extreme Environments\nThe complex and multiscale behavior associated with turbulent flows is further complicated by the presence of a disperse phase (i.e.\, solid particles\, liquid drops\, or gaseous bubbles). Strong coupling between the disperse phase and underlying turbulence plays important roles across engineering and science. For example\, liquid sprays are often used during rocket launches to suppress undesirable aeroacoustic loading on the fuselage and nearby equipment. Recent experiments have shown that water sound suppression systems might also be a viable option for jet noise reduction during take-off and landing of high-performance aircrafts. Within the energy sector\, turbulent suspensions of catalytic particles are used in a variety of energy conversion technologies\, yet the multiphase dynamics occurring in these reactors remain largely unknown. A key challenge in understanding and predicting turbulent multiphase flows is the fundamental importance of processes occurring on extremely small scales that ultimately influence the macroscopic behavior. This presentation will provide an overview of recent advancements in numerical modeling of particle-laden flows with several applications of ongoing research projects.
URL:https://micde.umich.edu/event/micde-seminar-jesse-capecelatro-department-of-mechanical-engineering-university-of-michigan/
LOCATION:185 EWR\, 1351 Beal Ave\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20180116T160000
DTEND;TZID=America/Detroit:20180116T170000
DTSTAMP:20260604T021359
CREATED:20230905T171416Z
LAST-MODIFIED:20230905T171416Z
UID:10000098-1516118400-1516122000@micde.umich.edu
SUMMARY:MICDE Seminar: Theresa Windus\, Chemistry\, Iowa State University
DESCRIPTION:Bio: Theresa Windus is a professor of Chemistry at Iowa State University. She earned her Ph.D. from Iowa State University in 1993 and did post-doctoral research at Northwestern University. Theresa was also the Director of Computational Chemistry/Training at Ohio Supercomputer Center and the Computational Chemistry lead at the Wright Patterson Air Force Base Major Shared Resource Center. Most recently\, she was the manager of the Molecular Science Software Group and the Visualization and User Services group in the Molecular Science Computing Facility in the Environmental Molecular Sciences Laboratory of Pacific Northwest National Laboratory. \nThe challenges of the exascale from the view of a molecular chemist\nThis talk will focus on the challenges that computational chemistry faces in taking the equations that model the very small (molecules and the reactions they undergo) to efficient and scalable implementations on the very large computers of today andtomorrow. In particular\, how do we take advantage of the newest architectures while preparing for the next generation of computers? How do we increase programmer productivity while ensuring excellent performance\, efficiency and portability across multiple platforms? How do we take advantage of the work of mathematicians\, computer scientists and other computational scientists to enable our science\, while ensuring maintainability and usability of the software? How do we ensure that the algorithms that we develop are making wise use of the computational resources? How do help the next generation of computational chemists to be ready for the complex computing environments that they will face? While not claiming to have answers to all (or any!) of these questions\, we will explore some possible solutions and their implications as we go forward and face the current petascale and the future exascale challenges. These will be in the context of several Department of Energy funded computational chemistry Exascale Computing Projects (NWChemEx and GAMESS) and the NSF funded Molecular Sciences Software Institute. \nProf. Windus is being hosted by Prof. Geva (Chemistry). If you would like to meet with him Prof. Windus during her visit please email mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-theresa-windus-chemistry-iowa-state-university/
LOCATION:CHEM 1640\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171205T150000
DTEND;TZID=America/Detroit:20171205T160000
DTSTAMP:20260604T021359
CREATED:20230905T171416Z
LAST-MODIFIED:20230905T171416Z
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SUMMARY:MICDE Seminar: Tarek Zohdi\, Department of Mechanical Engineering\, University of California\, Berkeley
DESCRIPTION:Bio: Tarek I. Zohdi received his Ph.D. in 1997 in Computational and Applied Mathematics from the University of Texas at Austin and his Habilitation in General Mechanics from the Gottfried Leibniz University of Hannover in 2002. He is currently a Chancellor’s Professor of Mechanical Engineering\, Chair of the Computational and Data Science and Engineering Program at UC Berkeley and holder of the W. C. Hall Family Endowed Chair in Engineering. He also holds a Staff Scientist position at Lawrence Berkeley National Labs. His main research interests are in computational approaches for advanced manufacturing and nonconvex multiscale-multiphysics inverse problems\, in particular addressing the issue of how large numbers of micro-constituents interact to produce macroscale aggregate material behavior. He has published over 145 archival refereed journal papers and five books. In 2000\, he received the Zienkiewicz Prize and Medal\, which are awarded once every two years\, to one post-graduate researcher under the age of 35\, by The Institution of Civil Engineers in London\, to commemorate the work of Professor O. C. Zienkiewicz\, for research which contributes most to the field of numerical methods in engineering. In 2002\, he received the Best Paper of the Year 2001 Award in London\, at the Lord’s Cricket Grounds\, for a paper published in Engineering Computations\, pertaining to modeling and simulation of the propagation of failure in particulate aggregates of material. In 2003\, he received the Junior Achievement Award of the American Academy of Mechanics. The award is given once a year\, to one post-graduate researcher\, to recognize outstanding research during the first decade of a professional career. In 2008\, he was elected Fellow of the International Association for Computational Mechanics (IACM) and in 2009 he was elected Fellow of the United Stated Association for Computational Mechanics (USACM). He was elected President of the USACM in 2012\, and served from 2012 to 2014. He is an editor of Computational Mechanics\, Editor in Chief of Computational Particle Mechanics and serves on 12 editorial boards of international journals. For more information visit http://www.me.berkeley.edu/people/faculty/tarek-i-zohdi \nModeling and Simulation of Multistage Multiphysical Processes in Next-Generation Advanced Manufacturing and 3D Printing with New Multifunctional Materials\nWithin the last decade\, several industrialized countries have stressed the importance of advanced manufacturing to their economies. Many of these plans have highlighted the development of additive manufacturing techniques\, such as 3D printing\, which are still in their infancy. The objective is to develop superior products\, produced at lower overall operational costs. For these   goals to be realized\, a deep understanding of the essential ingredients comprising the materials involved in additive manufacturing is needed. The combination of rigorous material modeling theories\, coupled with the dramatic increase of computational power can potentially play a significant role in the analysis\, control\, and design of many emerging additive manufacturing processes. Specialized materials and the precise   design of their properties are key factors in the processes. Specifically\, particle-functionalized materials play a central role in this field\, in three main ways:   (1) to endow filament-based materials by adding particles to a heated binder   (2) to “functionalize” inks by adding particles to freely flowing solvents and (3) to directly deposit particles\, as dry powders\, onto surfaces and then to heat them with a laser\, e-beam or other external source\, in order to fuse them into place. The goal of these processes is primarily to build surface structures\, coatings\, etc.\, which are extremely difficult to construct using classical manufacturing methods. The objective of this presentation is to introduce the audience to basic techniques which can allow them to rapidly develop and analyze particulate-based materials needed in new additive manufacturing processes. This presentation is broken into two main parts: continuum and discrete element approaches. The materials associated with methods (1) and (2) are closely related types of continua (particles embedded in a continuous binder) and are treated using continuum approaches. The materials in method (3)\, which are of a discrete particulate character\, are analyzed using discrete element methods. \nProf. Zohdi is being hosted by Prof. Garikipati (Mechanical Engineering). If you would like to meet with him please email mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-tarek-zohdi-department-of-mechanical-engineering-university-of-california-berkeley/
LOCATION:1109 FXB\, 1320 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171121T133000
DTEND;TZID=America/Detroit:20171121T143000
DTSTAMP:20260604T021359
CREATED:20230905T171414Z
LAST-MODIFIED:20230905T171414Z
UID:10000102-1511271000-1511274600@micde.umich.edu
SUMMARY:MICDE Seminar: Edward Maginn\, Department of Chemical and Biomolecular Engineering\, University of Notre Dame
DESCRIPTION:Bio: Edward Maginn received his BS in chemical engineering from Iowa State University and his PhD in chemical engineering from the University of California\, Berkeley. Prior to attending graduate school\, he worked as a process engineer for Procter and Gamble. He has been on the Notre Dame faculty since 1995 and currently holds the Dorini Family Chair of Energy Studies in the Department of Chemical and Biomolecular Engineering. He is also the chair of the department\, and was formerly the Associate Dean for Academic Programs in the Graduate School. He has won a number of awards\, including the Early Career Award from the Computational Molecular Science and Engineering Forum of the American Institute of Chemical Engineers\, the ASEE Dow Outstanding New Faculty Award\, the BP College of Engineering Outstanding Teacher Award and the NSF Career award. He is a Fellow of the American Association for the Advancement of Science and is a trustee of the CACHE Corporation. His research focuses on the development and use of atomistic molecular dynamics and Monte Carlo simulation methods to study the thermodynamic and transport properties of materials\, with special emphasis on ionic systems important in energy storage and use. \nUsing Molecular Modeling to Design New Fluids for Energy Storage and Carbon Capture\nLiquids that contain charged species\, such as electrolytes and ionic liquids\, have many important technological applications in fields such as energy storage\, separations\, and catalysis. By changing the structure of the molecules or employing mixtures\, the properties of these fluids can be altered significantly. The key questions are: How should I change the structure of the molecule or ion to get the properties I want? What type of additives should I use to improve performance? To answer these and related questions\, we use atomistic-level simulations to compute structural\, thermodynamic and transport properties of these systems. We are able to provide molecular-level explanations for experimental observations\, and we can predict properties of systems that may not yet have even been made in the laboratory. \nIn the first part of this talk\, I will describe molecular modeling research directed at improving the performance of electrolytes used in next generation “beyond lithium” batteries. Electrolytes are a critical component of batteries\, since they transport ions from the cathode to the anode during charging\, then in the reverse direction in releasing energy on discharge. Electrolytes play a leading role in a battery’s capacity for energy storage\, its lifetime and the safety of the battery. The electrolyte in a conventional lithium-ion battery consists of a lithium salt dissolved in an organic solvent. The electrolytes for next generation “beyond lithium” batteries will require new salt-solvent combinations.  Our simulations probe the way in which different electrolyte formulations\, charge carriers and additives impact the structure and dynamics of these liquids. \nIn the second half of the talk\, I will show how these same kinds of simulations can be used to develop new ionic liquids that can be used for CO2 separations / capture. Ionic liquids are pure salts that are liquid at ambient temperatures. Because they have essentially no vapor pressure and readily dissolve CO2\, people have been interested in using them for carbon capture. I will describe how our simulations have been successful in identifying new ionic liquids with properties tuned for use as conventional liquid absorbents or as supported ionic liquid membranes. \nThis is a joint seminar with the department of Chemical Engineering. Prof. Maginn is being hosted by Prof. Mayes (Chemical Engineering). If you are interested in meeting him during his visit please send an email to mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-edward-maginn-department-of-chemical-and-biomolecular-engineering-university-of-notre-dame/
LOCATION:MI
CATEGORIES:Featured Events,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2017/09/Edward-Maginn.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171110T150000
DTEND;TZID=America/Detroit:20171110T160000
DTSTAMP:20260604T021359
CREATED:20230905T171415Z
LAST-MODIFIED:20230905T171415Z
UID:10000092-1510326000-1510329600@micde.umich.edu
SUMMARY:MICDE Seminar: Chris Rycroft\, Department of Applied Mathematics\, Harvard University
DESCRIPTION:Bio: Chris Rycroft is an Assistant Professor of Applied Mathematics in the School of Engineering and Applied Sciences at Harvard University. From 2010–2013\, he was a Morrey Assistant Professor in the UC Berkeley Mathematics Department\, and he was involved in the Bay Area Physical Sciences-Oncology where he collaborated with several experimental groups at Berkeley and UC San Francisco\, on using computational modeling to understand the role of mechanical forces between cells and their environment. Prof. Rycroft’s research focuses on mathematical modeling and scientific computation\, particularly for interdisciplinary applications in science and engineering. He works on a variety of problems\, and has collaborated in a number of fields including physics\, biology\, materials science\, and mechanical engineering. His current interests include questions that relate to the mechanics of materials\, numerical algorithms\, and geometry. Several of his recent projects relate to energy production and efficiency\, such as modeling bulk metallic glasses\, and developing high-throughput screening techniques to find advanced materials for carbon capture applications. He has also released several software libraries\, including Voro++ for three-dimensional computations of the Voronoi tessellation. \nThe reference map technique for simulating complex materials and multi-body interactions\nConventional computational methods often create a dilemma for fluid-structure interaction problems. Typically\, solids are simulated using a Lagrangian approach with grid that moves with the material\, whereas fluids are simulated using an Eulerian approach with a fixed spatial grid\, requiring some type of interfacial coupling between the two different perspectives. Here\, a fully Eulerian method for simulating structures immersed in a fluid will be presented. By introducing a reference map variable to model finite-deformation constitutive relations in the structures on the same grid as the fluid\, the interfacial coupling problem is highly simplified. The method is particularly well suited for simulating soft\, highly-deformable materials and many-body contact problems\, and several examples from engineering and biology will be presented. This is joint work with Ken Kamrin (MIT). \nThis is a joint seminar with the Interdisciplinary Applied Mathematics seminar series. \nProf. Rycroft is being hosted by Prof. Alben (Mathematics). If you would like to meet him please email Prof. Alben at alben@umich.edu or Dr. Mariana Carrasco-Teja at mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-chris-rycroft-department-of-applied-mathematics-harvard-university/
LOCATION:1084 East Hall\, 530 Church St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171108T140000
DTEND;TZID=America/Detroit:20171108T150000
DTSTAMP:20260604T021359
CREATED:20230905T171415Z
LAST-MODIFIED:20230905T171415Z
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SUMMARY:MICDE Seminar: Giulia Galli\, Department of Molecular Engineering\, University of Chicago
DESCRIPTION:Bio: Giulia Galli is the Liew Family Professor of Electronic Structure and Simulations in the Institute for Molecular Engineering at the University of Chicago. She also holds a Senior Scientist position at Argonne National Laboratory (ANL) and she is a Senior Fellow of the UChicago/ANL Computational Institute. Prior to joining U Chicago and ANL\, she was Professor of Chemistry and Physics at UC Davis (2005-2013) and the head of the Quantum Simulations group at the Lawrence Livermore National Laboratory (1998-2005).\nShe holds a Ph.D. in Physics from the International School of Advanced Studies (SISSA) in Trieste\, Italy. She is a Fellow of the American Physical Society (APS) and of the AAAS. She is the recipient of an award of excellence from the Department of Energy (2000) and of the Science and Technology Award from the Lawrence Livermore National Laboratory (2004). She is currently the director of MICCoM (Midwest Integrated Center for Computational Materials)\, established by DOE in 2015. Her research activity is focused on the development and use of theoretical and computational tools to understand and predict the properties and behavior of materials (solids\, liquids and nanostructures) from first principles. \nMaterials discovery and scientific design by computation: what does it take?\nSubstantial progress has been made in the last three decades in understanding and predicting the fundamental properties of materials and molecular systems from first principles\, employing electronic structure methods and atomistic simulations. Using specific examples\, I will discuss some predictions obtained for materials for energy conversion processes (photo-catalysis of water and solar cells) as well as some of the major challenges involved in enabling scientific discoveries by computation; in particular I will touch upon theoretical validation; and collection and verification of data generated by simulations. I will also discuss some of the theoretical and algorithmic advances required to broaden the scope of properties accessible by current ab initio simulations. \nProfessor Galli is being hosted by Prof. Siegel (Mechanical Engineering). If you would like to meet her during her visit please email mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-giulia-galli-department-of-molecular-engineering-university-of-chicago/
LOCATION:MI
CATEGORIES:Featured Events,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2017/09/Giulia-Galli.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171102T140000
DTEND;TZID=America/Detroit:20171102T150000
DTSTAMP:20260604T021359
CREATED:20230905T171415Z
LAST-MODIFIED:20260522T153005Z
UID:10000096-1509631200-1509634800@micde.umich.edu
SUMMARY:MICDE Seminar: Thomas Devereaux\, Photon Science\, Stanford University
DESCRIPTION:Bio: Professor Devereaux received his Ph.D. in Physics from the University of Oregon in 1991\, M.S. from University of Oregon in 1988\, and B.S from New York University in 1986. Professor Devereaux is currently the Director of the Stanford Institute for Materials and Energy Sciences (SIMES)\, the Associate Lab Director (ALD) for Photon Science\, a professor in the Photon Science Faculty at SLAC National Accelerator Laboratory and Stanford University and a Senior Fellow of the Precourt Institute for Energy. SIMES is a joint institute between Stanford main campus and SLAC\, a national laboratory\, focusing on scientific foundations related to the energy challenge facing our society. Professor Devereaux was a Post-doctoral Fellow at the Max Planck Institut\, Stuttgart\, (1991-1993)\, a Post-doctoral Fellow at the University of California\, Davis\, CA\, (1993-1996)\, an Assistant Professor at The George Washington University\, Washington\, DC\, (1996-1999)\, and an Associate Professor (1999-2006) and Professor (2006-2007) at the University of Waterloo\, Waterloo\, ON\, Canada.\nHis main research interests lie in the areas of theoretical condensed matter physics and computational physics. His research effort focuses on using the tools of computational physics to understand quantum materials. Fortunately\, we are poised in an excellent position as the speed and cost of computers have allowed us to tackle heretofore unaddressed problems involving interacting systems. The goal of his research is to understand electron dynamics via a combination of analytical theory and numerical simulations to provide insight into materials of relevance to energy science. His group carries out numerical simulations on SIMES’ high-performance supercomputer\, the National Energy Research Scientific Computing Center (NERSC)\, and other US and Canadian computational facilities. The specific focus of the group is the development of numerical methods and theories of photon-based spectroscopies of strongly correlated materials.\nProfessor Devereaux’s awards include: U. S. Department of Education Fellowship (1989-1991); Junior Scholar Incentive Award\, George Washington University (1998); Research Fellowship of the Alexander von Humboldt Foundation (2002-2006); Premier’s Research Excellence Award\, Province of Ontario (2003); Scientist Research Fellowship\, Embassy of France (2005); and Fellow of the American Physics Society (2008). \nLight controlled topological phase transitions in multi-orbital and frustrated magnetic systems\nSpurred by recent progress in melting\, enhancement and induction of electronic order out of equilibrium\, a tantalizing prospect concerns instead accessing transient Floquet steady states via broad pump pulses\, to affect electronic properties. Here\, we consider a two-pronged approach to manipulate the topology of a band insulator\, as well as topological order in a Mott insulator. We first consider monolayer transition-metal dichalcogenides (TMDCs) [1]\, and show that their low-energy description as massive 2D relativistic fermions fails to hold for optical pumping. Instead\, the added complexity of a realistic materials description leads to a novel mechanism to optically induce topologically-protected chiral edge modes\, facilitating optically-switchable conduction channels that are insensitive to disorder. We develop a strategy to understand non-equilibrium Floquet-Bloch bands and topological transitions directly from ab initio calculations\, and illustrate for the example of WS2 that control of chiral edge modes can be dictated solely from symmetry principles and is not qualitatively sensitive to microscopic materials details. Second\, we extend these ideas to strongly correlated systems and show that pumping frustrated Mott insulators with circularly-polarized light can drive the effective spin system across a phase transition to a chiral spin liquid (CSL) [2]. We show that the transient time evolution of a Kagome lattice Hubbard model is well captured by an effective spin description\, where circular polarization promotes a staggered scalar spin chirality Si . (Sj x Sk) directly to the Hamiltonian level. We fingerprint the ensuing phase diagram and find a stable photo-induced CSL in proximity to the equilibrium ground state. The results presented suggest new avenues to marry dynamical symmetry breaking\, strong interactions\, and ab initio materials modelling\, to access elusive phase transitions that are not readily accessible in equilibrium. \nReferences:\n[1] M. Claassen et al\, Nature Comm. 7\, 13074 (2016).\n[2] M. Claassen et al\, arXiv:1611.07964\, to appear in Nature Communications. \nThis is a joint CM Theory seminar. Prof. Devereaux is being hosted by Prof. Gull (Physics). If you are interested in meeting with him during his visit please send an email to mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-thomas-devereaux-photon-science-stanford-university/
LOCATION:4448 East Hall\, 530 Church St\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171025T150000
DTEND;TZID=America/Detroit:20171025T160000
DTSTAMP:20260604T021359
CREATED:20230905T171415Z
LAST-MODIFIED:20230905T171415Z
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SUMMARY:MICDE Seminar: Irina Tezaur\, Extreme Scales Data Science and Analytics Department\, Sandia National Laboratories
DESCRIPTION:Bio: Dr. Irina Tezaur (f.k.a. Dr. Irina Kalashnikova) is a Principal Member of Technical Staff (PMTS) in the Extreme Scales Data Science & Analytics Department (Org. 8759) at Sandia National Laboratories in Livermore\, CA. Prior to joining this group\, from October 2011 to September 2014\, she was SMTS in the Computational Mathematics Department (Org. 1442) at Sandia in Albuquerque\, NM. She received her Ph.D. in Computational and Mathematical Engineering (CME) from Stanford University in 2011. Her advisor at Stanford was Professor Charbel Farhat and I was a member of the Farhat Research Group (FRG). Her Bachelors and Masters degrees are in pure mathematics\, awarded by the University of Pennsylvania in 2006. Dr. Tezaur’s research interests are numerical solution to PDEs\, mixed/hybrid finite element methods\, stability and convergence properties of numerical methods\, Reduced Order Modeling (ROM) and simulation-based analysis of fluid-structure interaction that she currently applies to climate modeling. \nNext-generation modeling & simulation of large-scale ice sheets towards probabilistic sea-level change projections\nRecent observations show that both the Greenland and Antarctic ice sheets are losing mass at increasingly rapid rates [1]. In its fourth assessment report (AR4)\, the Intergovernmental Panel on Climate Change (IPCC) declined to include estimates of future sea-level change from dynamics of the polar ice sheets due to the inability of ice sheet models to mimic or explain observed dynamic behaviors\, such as the acceleration and thinning then occurring on several of Greenland’s large outlet glaciers [2]. In recent years\, there has been a push to develop “next generation” land-ice models and codes for integration into global Earth System Models (ESMs). Unlike their predecessors\, these codes: (1) are able to perform realistic\, high-resolution\, continental scale simulations\, (2) are robust\, efficient and scalable on next-generation hybrid systems (multi-core\, many-core\, GPU\, Intel Xeon Phi)\, and (3) possess built-in advanced analysis capabilities (e.g.\, sensitivity analysis\, optimization\, uncertainty quantification). This talk will give an overview of the Albany/FELIX (Finite Elements for Land Ice eXperiments) [3] next-generation land-ice dynamical core (dycore) that is under development at Sandia National Laboratories as a part of a Department of Energy (DOE) SciDAC-funded project aimed at providing probabilistic sea-level projections from extreme-scale ice sheet and earth system models. This dycore is currently being integrated in to the DOE’s Acelerated Climate Model for Energy (ACME)\, which will be used to calculate anticipated 21st sea-level change projections\, including uncertainty bounds. It is widely accepted that land-ice behaves like a very viscous\, shear-thinning\, non-Newtonian fluid\, similar to lava flow. Typically\, ice sheets are modeled using a quasi-static model in which a steady momentum-balance system for the ice velocities is coupled to dynamic equations for the ice thickness and temperature. The Albany/FELIX dycore is based on the so-called “First-Order Stokes” equations for the ice momentum balance [4]\, an attractive alternative to the more expensive “Full Stokes” model because of its reduced computational cost. Following an overview of our land-ice model and project\, I will describe some of the algorithms and software we have developed as a part of this project that have contributed to our dycore’s robustness and scalability. These include: robust automatic-differentiation-based nonlinear solvers\, scalable algebraic-multigrid-based iterative linear solvers [5]\, adaptive mesh refinement capabilities\, and stable semi-implicit First-Order Stokes-thickness coupling methods. I will also discuss some of the advanced analysis capabilities in Albany/FELIX\, namely a large-scale inversion approach we have developed for obtaining optimal ice initial conditions [6]\, our workflow towards quantifying uncertainties in land-ice models\, and performance-portability of the Albany/FELIX code to new and emerging architectures using the Kokkos library [7]. I will show results which demonstrate that the Albany/FELIX dycore is scalable\, fast and robust for production-scale land-ice problems on state-of-the-art HPC machines. I will also discuss results from a recent validation study in which Albany/FELIX was used to simulate the Greenland ice sheet during the period 1991-2013 with realistic climate forcing\, and the simulation data were compared with observational data collected by NASA satellites [8]. \nThis work was done in collaboration with Irina Demeshko\, Mike Eldred\, Matt Hoffman\, John Jakeman\, Mauro Perego\, Steve Price\, Andy Salinger\, Ray Tuminaro and Jerry Watkins. \nDr. Tezaur is being hosted by Prof. Garikipati (Mechanical Engineering). If you would like to meet her please email mcteja@umich.edu \n[1] I. Velicogna. Increasing rates of ice mass loss from the Greenland and Antarctic ice sheets revealed by GRACE. Geophysical Research Letters\, 36 (19) L19503\, 2009.\n[2] S. Solomon\, D. Qin\, M. Manning\, Z. Chen\, M. Marquis\, K. Averyt\, M. Tignor\, H. Miller. Climate change 2007: The physical science basis\, Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change\, Cambridge Univ. Press\, Cambridge\, UK\, 2007.\n[3] I. Tezaur\, M. Perego\, A. Salinger\, R. Tuminaro\, S. Price. Albany/FELIX: A Parallel\, Scalable and Robust Finite Element Higher-Order Stokes Ice Sheet Solver Built for Advanced Analysis\, Geosci. Model Develop. 8 (2015) 1-24.\n[4] J.K. Dukowicz\, S.F. Price\, W. Lipscomb. Consistent approximations and boundary conditions for ice-sheet dynamics from a principle of least action. J. Glaciol.\, 56 (197) (2010) 480-496.\n[5] R. Tuminaro\, M. Perego\, I. Tezaur\, A. Salinger\, S. Price. A matrix dependent/algebraic multigrid approach for extruded meshes with applications to ice sheet modeling\, SIAM J. Sci. Comput. 38 (5) (2016) C504-C532.\n[6] M. Perego\, S. Price\, G. Stadler. Optimal initial conditions for coupling ice sheet models to earth system models\, J. Geophys. Res.\, 119 (2014) 1894-1917.\n[7] H.C. Edwards\, C.R. Trott\, D. Sunderland. Kokkos: Enabling manycore performance portability through polymorphic memory access patterns. J. Par. and Distr. Comput.\, 74 (12) 3202–3216\, 2014.\n[8] S. Price\, M. Hoffman\, J. Bonin\, T. Neumann\, I. Howat\, J. Guerber\, I. Tezaur\, J. Saba\, J. Lanaerts\, D. Chambers\, W. Lipscomb\, M. Perego\, A. Salinger\, R. Tuminaro. An ice sheet model validation framework for the Greenland ice sheet\, Geosci. Model Dev. 10 (2017) 255-270
URL:https://micde.umich.edu/event/micde-seminar-irina-tezaur-extreme-scales-data-science-analytics-department-sandia-national-laboratories/
LOCATION:1006 H.H. Dow\, 2300 Hayward St\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series
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END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171019T153000
DTEND;TZID=America/Detroit:20171019T163000
DTSTAMP:20260604T021359
CREATED:20230905T171415Z
LAST-MODIFIED:20230905T171415Z
UID:10000090-1508427000-1508430600@micde.umich.edu
SUMMARY:MICDE Seminar: Panos Papadopoulos\, Department of Mechanical Engineering\, University of California\, Berkeley
DESCRIPTION:Bio: Panos Papadopoulos is a Professor of Mechanical Engineering at the University of California\, Berkeley\, and director of the Computational Solid Mechanics Laboratory. After obtaining his Diploma in Civil Engineering from the Aristotle University\, Greece\, he moved to California to pursue his graduate studies. He obtained his M. Sc. and Ph.D. in Civil Engineering from UC Berkeley. His research involves experimental\, analytical and computational studies of several mechanics systems. Prof. Papadopoulus develops and applied the finite element method to problems in biomechanics\, dynamics of pseudo-rigid bodies\, mechanics of continues media\, plasticity\, materials science and contact mechanics. \nMultiscale Modeling in Continuum Mechanics: A connection to the Irving-Kirkwood procedure\nThis talk describes a method for extending the classical Irving-Kirkwood procedure used in statistical mechanics for extracting local fluxes to the problem of continuum-on-continuum multiscale modeling. Expressions for stress and heat flux derived here are contrasted to those obtained using the standard Hill-Mandel approach. The polar nature of the macroscopic solid and the role of multiscale invariance are also addressed in the context of this method. Applications are explored within the finite element-based homogenization of solids. \nProf. Papadopoulos is being hosted by Prof. Garikipati (Mechanical Engineering). If you would like to meet with him please send an email to mcteja@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-panos-papadopoulos-department-of-mechanical-engineering-university-of-california-berkeley/
LOCATION:Johnson Rooms\, Lurie Engineering Center\, 3rd Floor LEC 3213ABC\, 1221 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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GEO:42.2914823;-83.7138452
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END:VEVENT
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DTSTART;TZID=America/Detroit:20171003T160000
DTEND;TZID=America/Detroit:20171003T170000
DTSTAMP:20260604T021359
CREATED:20230905T171439Z
LAST-MODIFIED:20230905T171439Z
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SUMMARY:MICDE Seminar: Margaret Cheung\, Department of Physics\, University of Houston
DESCRIPTION:Bio: Margaret Cheung is an Associate Professor of Physics at the University of Houston. She graduated from the National Taiwan University with a bachelor’s degree in chemistry and received her Ph.D. in physics from the University of California\, San Diego. She carried out theoretical biological physics and bioinformatics research as a Sloan Postdoctoral Fellow at the University of Maryland and started her lab at the University of Houston in 2006. Professor Cheung’s research is in the field of protein folding inside a cell\, calmodulin dependent calcium signaling\, and quantum efficiency in artificial photosynthetic materials. She is particularly interested in developing coarse-grained models for protein dynamics in crowded systems\, creating multi-physics models that bridge dynamics across wide temporal and spatial scales\, and designing computational algorithms that effectively integrate novel high-performance resources. These systems can then be applied for understanding of biological function and for developing therapeutic strategies. She is a fellow of the American Physical Society and a Senior Scientist at the Center for Theoretical Biological Physics at Rice University. \nMolecular Underpinning of Postsynaptic Calmodulin-dependent Calcium Signaling\nCalcium (Ca2+) is exquisitely utilized by a cell for transducing external stimuli through its gradient of extracellular (~1000 μM) and intracellular (~0.1 μM) concentration. A broad spectrum of Ca2+ signals are encoded by protein calmodulin (CaM) through specific binding with various targets regulating CaM-dependent Ca2+ signaling pathways in neurons. I will focus on binding between CaM and two specific targets\, Ca2+/CaM-dependent protein kinase II (CaMKII) and neurogranin (Ng)\, as they antagonistically regulate CaM-dependent Ca2+ signaling pathways in neurons. I will show the impact of bound calmodulin (CaM)-target compound structure on the affinity of calcium (Ca2+) by integrating coarse-grained models and all-atomistic simulations with non-equilibrium physics. We discovered the molecular underpinnings of lowered affinity of Ca2+ for CaM in the presence of Ng by showing that the N-terminal acidic region of Ng peptide pries open the β-sheet structure between the Ca2+ binding loops particularly at C-domain of CaM\, enabling Ca2+ release. In contrast\, CaMKII peptide increases Ca2+ affinity for the C-domain of CaM by stabilizing the two Ca2+ binding loops. Through distinctive structural differences in the bound complexes of apoCaM-Ng13-49 and holoCaM-CaMKII\, CaM’s affinity for Ca2+ is delineated by its progressive mechanism of target binding. I will discuss them in the context of evolution and in the crowded environment. \nProf. Cheung is being hosted by Prof. Geva (Chemistry)
URL:https://micde.umich.edu/event/micde-seminar-margaret-cheung-department-of-physics-university-of-houston/
LOCATION:CHEM 1640\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20170418T083000
DTEND;TZID=America/Detroit:20170418T170000
DTSTAMP:20260604T021359
CREATED:20230905T171438Z
LAST-MODIFIED:20230905T171438Z
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SUMMARY:2017 MICDE Annual Symposium
DESCRIPTION:Please join us for the Michigan Institute for Computational Discovery and Engineering 2017 Symposium. The event features eminent scientists from around the world and the U-M campus. The symposium this year focuses on the “New Era of Data-Enabled Computational Science.” \nSpeakers: \n\nFrederica Darema — Director\, Air Force Office of Scientific Research\nGeorge Karniadakis —  Professor of Applied Mathematics\, Brown University\nTinsley Oden — Director of the Institute for Computational Engineering and Sciences\, V.P. for Research\, University of Texas at Austin\nKaren Willcox — Professor of Aerospace and Aeronautics\, Massachusetts Institute of Technology\, co-Director of MIT Center for Computational Engineering\nJacqueline H. Chen — Distinguished Member of Technical Staff at the Combustion Research Facility\, Sandia National Laboratories\nLaura Balzano — Assistant Professor\, Electrical Engineering and Computer Science\, U-M\nEmanuel Gull — Assistant Professor\, Physics\n\nThe symposium features a poster competition and more. For more information and to register go to https://live-umor-micde.pantheonsite.io/symposium17/ \nPast Symposia\n2016 MICDE Annual Symposium \nResearch Computing Symposium Fall 2014  \n 
URL:https://micde.umich.edu/event/2017-micde-annual-symposium/
LOCATION:Rackham Building\, 4th Floor\, 915 E. Washington\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:MICDE Seminar Series
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GEO:42.2807892;-83.7381556
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=Rackham Building 4th Floor 915 E. Washington Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=915 E. Washington:geo:-83.7381556,42.2807892
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DTSTART;TZID=America/Detroit:20170317T110000
DTEND;TZID=America/Detroit:20170317T120000
DTSTAMP:20260604T021359
CREATED:20230905T171438Z
LAST-MODIFIED:20230905T171438Z
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SUMMARY:MICDE Seminar: Yongjie Jessica Zhang\, Mechanical Engineering and Biomedical Engineering\, Carnegie Mellon University
DESCRIPTION:Bio: Yongjie Jessica Zhang is a Professor in Mechanical Engineering at Carnegie Mellon University with a courtesy appointment in Biomedical Engineering. She received her B.Eng. in Automotive Engineering\, and M.Eng. in Engineering Mechanics from Tsinghua University\, China; and M.Eng. in Aerospace Engineering and Engineering Mechanics and Ph.D. in Computational Engineering and Sciences from Institute for Computational Engineering and Sciences (ICES)\, The University of Texas at Austin. After staying two years at ICES as a postdoctoral fellow\, she joined CMU in 2007 as an assistant professor\, and then was promoted to an associate professor in 2012 and a full professor in 2016. Her research interests include computational geometry\, mesh generation\, computer graphics\, visualization\, finite element method\, isogeometric analysis and their application in computational biomedicine\, material sciences and engineering. She has co-authored over 140 publications in peer-reviewed journals and conference proceedings\, and received the Autodesk Best Paper Award 1st Place in SIAM Conference on Solid and Physical Modeling 2015\, the Best Paper Award in CompIMAGE’16 conference and one of the 5 Most Highly Cited Papers Published in Computer-Aided Design during 2014-2016. She recently published a book entitled “Geometric Modeling and Mesh Generation from Scanned Images” with CRC Press\, Taylor & Francis Group. She is the recipient of Presidential Early Career Award for Scientists and Engineers\, NSF CAREER Award\, Office of Naval Research Young Investigator Award\, USACM Gallagher Young Investigator Award\, Clarence H. Adamson Career Faculty Fellow in Mechanical Engineering\, George Tallman Ladd Research Award\, and Donald L. & Rhonda Struminger Faculty Fellow. \nImage-Based Mesh Generation and Volumetric T-Spline Modeling for Isogeometric Analysis with Engineering Applications\nWith finite element method and scanning technology seeing increased use in many research areas\, there is an emerging need for high-fidelity geometric modeling and mesh generation of spatially realistic domains. This talk will highlight research in three areas: image-based mesh generation for complicated domains\, trivariate spline modeling for isogeometric analysis\, as well as biomedical\, material sciences and engineering applications. First Prof. Zhang will present advances and challenges in image-based geometric modeling and meshing along with a comprehensive computational framework\, which integrates image processing\, geometric modeling\, mesh generation and quality improvement with multi-scale analysis at molecular\, cellular\, tissue and organ scales. Different from other existing methods\, the presented framework supports five unique features: high-fidelity meshing for heterogeneous domains with topology ambiguity resolved; multiscale geometric modeling for biomolecular complexes; automatic all-hexahedral mesh generation with sharp feature preservation; robust quality improvement for non-manifold meshes; and guaranteed-quality meshing. These unique capabilities enable accurate\, stable\, and efficient mechanics calculation for many biomedicine\, materials science and engineering applications. As a new advancement of traditional finite element method\, isogeometric analysis (IGA) was proposed to integrate design and analysis. In the second part of this talk\, she will present her latest research on volumetric T-spline parameterization for IGA applications. For arbitrary-topology objects\, we first build a polycube whose topology is equivalent to the input geometry and it serves as the parametric domain for the following trivariate T-spline construction. Boolean operations\, geometry skeleton and centroidal Voronoi tessellation based surface segmentation are used to preserve surface features. A parametric mapping is then used to build a one-to-one correspondence between the input geometry and the polycube boundary. After that\, we choose the deformed octree subdivision of the polycube as the initial T-mesh\, and make it valid through pillowing\, quality improvement\, and applying templates or truncated subdivision schemes to handle extraordinary nodes. Weighted and truncated T-spline basis functions are derived to enable analysis-suitability\, including partition of unity and linear independence. The developed pipelines have been incorporated into commercial software such as Rhino and Abaqus. \nProf. Zhang is being hosted by Prof. Garikipati (Mechanical Engineering)
URL:https://micde.umich.edu/event/micde-seminar-yongjie-jessica-zhang-mechanical-engineering-and-biomedical-engineering-carnegie-mellon-university/
LOCATION:1200 EECS\, 1301 Beal Ave.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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GEO:42.292322;-83.713272
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BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20170308T140000
DTEND;TZID=America/Detroit:20170308T150000
DTSTAMP:20260604T021359
CREATED:20230905T171438Z
LAST-MODIFIED:20230905T171438Z
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SUMMARY:SC2/MICDE Seminar: Eric Jankowski\, Materials Science and Engineering\, Boise State University
DESCRIPTION:Bio: Eric Jankowski is an assistant professor of Materials Science and Engineering at Boise State University. He earned his PhD in Chemical Engineering from the University of Michigan in 2012\, where he developed computational tools to study the self-assembly of nanoparticles. These tools leveraged graphics processors to accelerate computations and provided insight into systems of both theoretical and practical importance. Dr. Jankowski began focusing on renewable energy generation during his postdoctoral positions at the University of Colorado and the National Renewable Energy Laboratory. At these postdocs\, Dr. Jankowski applied techniques he developed during his thesis to understand factors that determine the ordering of molecules in organic solar cells. \nThis is a joint seminar of the Scientific Computing Student Club and MICDE\, sponsored in part by U-M Rackham Graduate School.   \n  \nCobbling together computational components to engineer inexpensive plastic solar panels\nIn order to meet projected global energy demands over the next 25 years\, the equivalent of building a 1GW power plant each day is needed. Existing clean power generation technologies can meet this demand in principle\, but their relatively large short-term costs have limited widespread adoption. In this work we explain manufacturing strategies for organic (plastic) solar panels that overcome economic barriers to adoption by optimizing the structure of the organic active layer responsible for generating electricity. We perform coarse-grained molecular dynamics simulations accelerated with graphics processing units to determine the thermodynamically stable morphologies for a variety of candidate ingredients. Using these morphologies we perform kinetic Monte Carlo charge transport simulations to determine which morphologies are better candidates for solar devices. The simulation pipeline developed here combines computational tools developed for solving unrelated problems\, and we discuss the evolving landscape of scientific computing education and how it overlaps with this work. \n 
URL:https://micde.umich.edu/event/sc2micde-seminar-eric-jankowski-material-science-and-engineering-boise-state-university/
LOCATION:2540 G.G. Brown (2350 Hayward St.)\, 2300 Hayward St\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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DTSTART;TZID=America/Detroit:20170307T160000
DTEND;TZID=America/Detroit:20170307T170000
DTSTAMP:20260604T021359
CREATED:20230905T171438Z
LAST-MODIFIED:20230905T171438Z
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SUMMARY:MICDE Seminar: Michael Eldred\, Computation\, Computers\, Information\, and Mathematics Center\, Sandia National Laboratories
DESCRIPTION:Bio: Michael Eldred is a Distinguished Member of the Technical Staff in the Optimization and Uncertainty Quantification Department within the Computation\, Computers\, Information\, and Mathematics Center at Sandia National Laboratories. He received his B.S. in Aerospace Engineering from Virginia Tech in 1989\, his M.S.E. and Ph.D. in Aerospace Engineering from the University of Michigan in 1990 and 1993. Mike led the DAKOTA project\, a “… toolkit that provides a flexible\, extensible interface between analysis codes and iterative systems analysis methods…”\, for 15 years (1994-2009) and now leads algorithm research and development activities related to DAKOTA. Mike’s research interests include uncertainty quantification\, design under uncertainty\, surrogate-based optimization\, and high-performance computing\, with application to stockpile stewardship and energy initiatives through the NNSA ASC\, DOE ASCR\, and DOE SciDAC programs. \nMike is an Associate Fellow of the American Institute of Aeronautics and Astronautics (AIAA) and a member of the Society for Industrial and Applied Mathematics (SIAM)\, the International Society for Structural and Multidisciplinary Optimization (ISSMO)\, and the United States Association for Computational Mechanics (USACM). He currently serves as a member of the AIAA Nondeterministic Approaches Technical Committee and on the editorial board for the International Journal for Uncertainty Quantification. A number of his publications are available on the DAKOTA web site. \nTitle: Multilevel-Multifidelity Approaches for Uncertainty Quantification and Design\nIn the simulation of complex physics\, multiple model forms of varying fidelity and resolution are commonly available. In computational fluid dynamics\, for example\, common model fidelities include potential flow\, inviscid Euler\, Reynolds-averaged Navier-Stokes\, and large eddy simulation\, which may be further augmented by subgrid-scale model selections and spatio-temporal discretization levels. In this presentation\, we focus on novel algorithms that simultaneously exploit multiple model forms and multiple resolutions\, both for uncertainty quantification (UQ) and for optimization under uncertainty (OUU). These hybrid methods exploit multifidelity methods across the model form hierarchy in combination with multilevel accelerators across an associated discretization hierarchy\, manifesting as multilevel control variate Monte Carlo and multilevel polynomial expansion methods in the UQ case and recursive trust-region and multigrid optimization in the OUU case. These techniques will be demonstrated for both model problems and engineered systems\, and will be placed within the broader context of algorithm research and development within the Dakota project at Sandia. \nDr. Eldred is being hosted by Prof. Duraisamy (Aerospace Engineering) 
URL:https://micde.umich.edu/event/micde-seminar-michael-eldredcomputation-computers-information-and-mathematics-center-sandia-national-laboratories/
LOCATION:1008 FXB\, 1320 Beal Ave\, Ann Arbor\, MI\, 48109
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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GEO:42.2934832;-83.7119819
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DTSTART;TZID=America/Detroit:20170214T150000
DTEND;TZID=America/Detroit:20170214T160000
DTSTAMP:20260604T021359
CREATED:20230905T171440Z
LAST-MODIFIED:20230905T171440Z
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SUMMARY:MICDE Seminar: Steven White\, Physics & Astronomy\, University of California Irvine
DESCRIPTION:Bio: Steven White did his bachelor’s degree at the University of California in San Diego and received his Ph.D. from Cornell University. Early in his career he was awarded a National Science Foundation fellowship\, and an IBM postdoctoral fellowship. He’s been named an American Physical Society fellow\, and a fellow of the American Association for the Advancement of Science\, and of the American Academy of Arts and Science\, among others. Professor White is most known for inventing the Density Matrix Renormalization Group (DMRG)\, a numerical variation technique for high accuracy calculations of the low energy physics of quantum many-body systems. In 2003 he won the American Physical Society Aneesur Rahman prize\, a recognition of outstanding achievement in computational physics research “…for his development\, application\, and dissemination of the DMRG method”. He has published over one hundred and seventy papers on this and related subjects. \nTensor Network methods for Electronic Structure\nOur conventional picture of wave functions living in an exponentially large Hilbert space is both impractical for solving many particle systems and conceptually lacking: in recent years we have come to understand that physical states of matter live in an infinitesimal corner of Hilbert space\, characterized primarily by low entanglement. Tensor networks are the natural language to express low entanglement wave functions\, giving an exponentially compressed description of ground states. The density matrix renormalization group (DMRG) and other tensor network algorithms have had tremendous success in simulating quantum lattice models.The key challenge in translating these methods to electronic structure is the need to represent continuum space in an efficient way. After an introduction to tensor networks\, I’ll present a new DMRG-based approach suitable for the electronic structure of long molecules. Our sliced-basis DMRG method produces near-exact ground states within its basis\, and has a computation time which is linear in the length of the molecule. We are implementing SBDMRG for chains of hydrogen atoms\, where we have been able to simulate up to 1000 atoms in a minimal basis. \nProf. White is being hosted by Prof. Emanuel Gull (Chemistry)
URL:https://micde.umich.edu/event/micde-seminar-steven-white-physics-astronomy-university-of-california-irvine/
LOCATION:340 West Hall\, 1085 South University Ave.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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DTSTART;TZID=America/Detroit:20170203T100000
DTEND;TZID=America/Detroit:20170203T110000
DTSTAMP:20260604T021359
CREATED:20230905T171440Z
LAST-MODIFIED:20230905T171440Z
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SUMMARY:MICDE Seminar: Anna Krylov\, Chemistry\, University of Southern California
DESCRIPTION:Bio: Anna Krylov is a Gabilan Distinguished Professor in Science and Engineering\, Chemistry at the University of Southern California. She received her M.Sc. in Chemistry from Moscow State University and later her Ph.D. from The Hebrew University of Jerusalem. Upon completing her Ph.D. in 1996 (summa cum laude)\, she joined the group of Prof. Martin Head-Gordon at the University of California\, Berkeley as a postdoctoral research associate\, where she first became involved with electronic structure method development. In 1998\, she joined Department of Chemistry at USC. Currently\, Prof. Krylov leads a research group focused on theoretical modeling of open shell and electronically excited species. She is the head of the Center for Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species\, iOpenShell\, supported by the National Science Foundation (2005–2011) and the University of Southern California. She is developing robust black-box methods aiming to describe complicated multi-configurational wave functions in a single-reference formalism\, such as coupled-cluster and equation-of-motion (or linear response) approaches. She has developed the spin-flip approach\, which extends coupled-cluster and density functional methods to diradicals\, triradicals\, and bond-breaking. Using computational chemistry tools\, and in collaboration with numerous experimental groups\, Krylov is also investigating the role that radicals and electronically excited species play in such diverse areas as combustion\, gas- and condensed-phase chemistry\, solar energy applications\, bioimaging\, and ionization-induced processes in biology. She has co-authored more than 120 publications and has delivered more than 130 invited lectures. (Source https://en.wikipedia.org/wiki/Anna_Krylov) \nFission of entangled spins: Electronic structure perspective\nSinglet fission (SF)\, a process in which one singlet excited state is converted into two triplet states\, is of interest in the context of organic photovoltaic technology. Owing to its technological significance\, the mechanism of SF has been vigorously investigated. Yet\, the design principles for materials capable of efficient SF remain elusive. The main challenge faced by theory is a complex and intricate electronic structure of the process\, which involves non-adiabatic transitions between strongly correlated states. This lecture will discuss electronic structure of the relevant states\, the nature of non-adiabatic couplings\, and the connection between electronic factors and rates\, emphasizing the methodological aspects of the problem. The utility of theory will be illustrated by examples. Recent experimental and theoretical studies of SF in covalently linked tetracene dimers shed light on the effect of the linkers on the electronic factors and SF rates\, illuminating the role of through-space and through-bond interactions between the chromophores. The results highlight the importance of integrative approaches that evaluate the overall rate\, rather than focus on specific electronic factors\, such as energies or couplings.
URL:https://micde.umich.edu/event/micde-seminar-anna-krylov-chemistry-university-of-southern-california/
LOCATION:CHEM 1640\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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DTSTART;TZID=America/Detroit:20170127T120000
DTEND;TZID=America/Detroit:20170127T130000
DTSTAMP:20260604T021359
CREATED:20230905T171439Z
LAST-MODIFIED:20230905T171439Z
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SUMMARY:MICDE Seminar: Vipin Kumar\, Computer Science and Engineering\, University of Minnesota
DESCRIPTION:Bio: Vipin Kumar is a Regents Professor and holds William Norris Chair in the department of Computer Science and Engineering  at the University of Minnesota.  His research interests include data mining\, high-performance computing\, and their applications in Climate/Ecosystems and health care. He is currently leading an NSF Expedition project on understanding climate change using data driven approaches.  He has authored over 300 research articles\, and co-edited or coauthored 10 books including the widely used text book “Introduction to Parallel Computing”\, and “Introduction to Data Mining”.  Kumar co-founded SIAM International Conference on Data Mining and served as a founding co-editor-in-chief of Journal of Statistical Analysis and Data Mining (an official journal of the American Statistical Association).  Kumar is a Fellow of the ACM\, IEEE and AAAS.  He received the Distinguished Alumnus Award from the Indian Institute of Technology (IIT) Roorkee (2013) and the Distinguished Alumnus Award from the Computer Science Department\, University of Maryland College Park (2009).  Kumar’s foundational research in data mining and high performance computing has been honored by the ACM SIGKDD 2012 Innovation Award\, which is the highest award for technical excellence in the field of Knowledge Discovery and Data Mining (KDD)\, and the 2016 IEEE Computer Society Sidney Fernbach Award\, one of IEEE Computer Society’s highest awards. \nBig Data in Climate: Opportunities and Challenges for Machine Learning and Data Mining\nThis talk will present an overview of research being done in a large interdisciplinary project on the development of novel data mining and machine learning approaches for analyzing massive amount of climate and ecosystem data now available from satellite and ground-based sensors\, and physics-based climate model simulations. These information-rich data sets offer huge potential for monitoring\, understanding\, and predicting the behavior of the Earth’s ecosystem and for advancing the science of global change. This talk will discuss challenges in analyzing such data sets and some of our research results in mapping the dynamics of surface water globally as well as detecting deforestation and fires in tropical forests using data from Earth observing satellites. \nResearch funded by the NSF Expeditions in Computing Program and  NASA \nPizza lunch will be provided
URL:https://micde.umich.edu/event/micde-seminar-vipin-kumar-computer-science-and-engineering-university-of-minnesota/
LOCATION:1008 EECS\, 1301 Beal Ave.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
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BEGIN:VEVENT
DTSTART;TZID=UTC:20161209T110000
DTEND;TZID=UTC:20161209T120000
DTSTAMP:20260604T021359
CREATED:20230905T171440Z
LAST-MODIFIED:20230905T171440Z
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SUMMARY:MICDE Seminar: Ann Almgren\, Lawrence Berkeley National Lab
DESCRIPTION:Bio:  Ann Almgren is a senior scientist in the Computational Research Division of Lawrence Berkeley National Laboratory and the Group Lead of the Center for Computational Sciences and Engineering. Her primary research interest is in computational algorithms for solving PDE’s for fluid dynamics in a variety of application areas. Her current projects include the development and implementation of new multiphysics algorithms in high-resolution adaptive mesh codes that are designed for the latest multicore architectures.  She is a SIAM Fellow and serves on the editorial boards of CAMCoS and SIREV. \nNext-Generation AMR\nBlock-structured adaptive mesh refinement (AMR) is a powerful tool for improving the computational efficiency and reducing the memory footprint of structured-grid numerical simulations. AMR techniques have been used for over 25 years to solve increasingly complex problems.  I will give an overview of recent and planned advances in AMR algorithms and implementations at BerkeleyLab to address the challenges of next-generation multicore architectures and the complexity of multiscale\, multiphysics problems.  This will include new ways of thinking about multilevel algorithms and new approaches to data layout and load balancing\, in situ and in transit visualization and analytics\, and run-time performance modeling and control. \n  \n  \n  \n 
URL:https://micde.umich.edu/event/micde-seminar-ann-almgren-lawrence-berkeley-national-lab/
LOCATION:1013 H. H. Dow\, 2300 Hayward St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:MICDE Seminar Series
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GEO:42.292998;-83.7152904
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DTSTART;TZID=America/Detroit:20161202T140000
DTEND;TZID=America/Detroit:20161202T150000
DTSTAMP:20260604T021359
CREATED:20230905T171440Z
LAST-MODIFIED:20230905T171440Z
UID:10000062-1480687200-1480690800@micde.umich.edu
SUMMARY:MICDE/RadLab/IEEE Seminar: Levent Gürel\, ABAKUS Computing Technologies
DESCRIPTION:Bio: Prof. Levent Gürel (Fellow of IEEE\, ACES\, and EMA) received the M.S. and Ph.D. degrees from the University of Illinois at Urbana-Champaign (UIUC) in 1988 and 1991\, respectively\, in electrical and computer engineering. He worked at the IBM Thomas J. Watson Research Center\, Yorktown Heights\, New York\, in 1991-94. During his 20 years with Bilkent University\, he served as the Founding Director of the Computational Electromagnetics Research Center (BiLCEM) and a professor of electrical engineering. He is also an Adjunct Professor at UIUC. Prof. Gürel is the Founder and CEO of ABAKUS Computing Technologies\, a company that is geared towards advancing the use of cutting-edge computing technologies for solving difficult scientific problems with important real-life applications and societal benefits. He is conferred the UIUC ECE Distinguished Alumni Award in 2013 and the IEEE Harrington-Mittra Award in Computational Electromagnetics in 2015. He is an IEEE Distinguished Lecturer. He was invited to address the 2011 and 2017 ACES Conferences as a Plenary Speaker and a TEDx Conference in 2014. Among other recognitions of Prof. Gürel’s accomplishments\, the two prestigious awards from the Turkish Academy of Sciences (TUBA) in 2002 and the Scientific and Technological Research Council of Turkey (TUBITAK) in 2003 are the most notable. Since 2003\, Prof. Gürel has been serving as an associate editor for Radio Science\, IEEE Transactions on Antennas and Propagation\, IEEE Antennas and Wireless Propagation Letters\, IET Microwaves\, Antennas & Propagation\, JEMWA\, PIER\, ACES Journal\, and ACES Express. \nSolution of Extremely Large Forward and Inverse Problems in Computational Electromagnetics: BIG DATA Aspects\nAs we solve some of the largest problems in the interdisciplinary domain of computational electromagnetics\, we have to deal with various aspects of big-data issues routinely. Most recently\, we have achieved the solutions of larger than 1\,500\,000\,000×1\,500\,000\,000 (1.5 billion!) dense matrix equations! This achievement is an outcome of a multidisciplinary effort involving physical understanding of electromagnetics problems\, novel parallelization strategies (computer science)\, constructing parallel clusters (computer architecture)\, advanced mathematical methods for integral equations\, fast solvers\, iterative methods\, preconditioners\, linear algebra\, and big data. Solving such large problems on a regular basis requires the generation\, representation\, storage\, processing\, analysis\, transfer and communication\, visualization and interpretation of extremely large data sets in the order of multiple terabytes. \nAccurate formulations of real-life electromagnetics problems with integral equations necessitate the solution of extremely large dense matrix equations. Solutions of such tremendously challenging problems cannot be achieved easily\, even when using the most powerful computers with state-of-the-art petascale computing capabilities. Instead\, we have been solving some of the world’s largest integral-equation problems in computational electromagnetics by employing fast algorithms implemented on parallel computers. To achieve optimal management of multiple large data sets\, we design and implement the handling of data in various levels of cache\, memory\, and disk\, leading to meticulously designed out-of-core (OoC) schemes. That way\, we enable the solution of unprecedentedly large problems with limited amounts of DRAM. In order to avoid decelerating the solution\, we optimize communications among CPU cores\, among processors\, among nodes\, from CPU to disk (and back)\, and in the case of heterogeneous architectures\, we carefully control the data traffic to/from GPUs. Furthermore\, we employ MPI and OpenMP simultaneously in a parallelization strategy designed to reduce data duplications among processes so that vast numbers of cores can be efficiently utilized without requiring extra memory. \nI will present fast and accurate solutions of large-scale electromagnetic forward and inverse problems involving three-dimensional geometries that are larger than 1000 wavelengths using the multilevel fast multipole algorithm (MLFMA) and parallel MLFMA. Solving the world’s largest computational electromagnetics problems has important implications in terms of obtaining the solutions of future grand-challenge problems in imaging\, (subsurface)\, optics\, nanotechnology\, bio-electromagnetics\, metamaterials\, remote sensing\, as well as plethora of other disciplines of science\, e.g.\, acoustics\, elastics\, quantum mechanics\, astrophysics\, molecular dynamics\, electro-statics\, fluid dynamics\, thermodynamics. For more information: http://captains.of.computing.technology/.
URL:https://micde.umich.edu/event/micderadlabieee-seminar-levent-gurel-abakus-computing-technologies/
LOCATION:3427 EECS\, 1301 Beal Ave.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Education,Featured Events,MICDE Seminar Series,Seminar
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