BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Michigan Institute for Computational Discovery and Engineering - ECPv6.15.20//NONSGML v1.0//EN
CALSCALE:GREGORIAN
METHOD:PUBLISH
X-WR-CALNAME:Michigan Institute for Computational Discovery and Engineering
X-ORIGINAL-URL:https://micde.umich.edu
X-WR-CALDESC:Events for Michigan Institute for Computational Discovery and Engineering
REFRESH-INTERVAL;VALUE=DURATION:PT1H
X-Robots-Tag:noindex
X-PUBLISHED-TTL:PT1H
BEGIN:VTIMEZONE
TZID:America/Detroit
BEGIN:DAYLIGHT
TZOFFSETFROM:-0500
TZOFFSETTO:-0400
TZNAME:EDT
DTSTART:20160313T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20161106T060000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:-0500
TZOFFSETTO:-0400
TZNAME:EDT
DTSTART:20170312T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20171105T060000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:-0500
TZOFFSETTO:-0400
TZNAME:EDT
DTSTART:20180311T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20181104T060000
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171102T140000
DTEND;TZID=America/Detroit:20171102T150000
DTSTAMP:20260613T223109
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
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2017/09/Thomas-Devereaux.png
GEO:42.2757212;-83.7351922
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=4448 East Hall 530 Church St Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=530 Church St:geo:-83.7351922,42.2757212
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171108T140000
DTEND;TZID=America/Detroit:20171108T150000
DTSTAMP:20260613T223109
CREATED:20230905T171415Z
LAST-MODIFIED:20230905T171415Z
UID:10000095-1510149600-1510153200@micde.umich.edu
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:20171110T150000
DTEND;TZID=America/Detroit:20171110T160000
DTSTAMP:20260613T223109
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
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2017/08/Chris-Rycroft.png
GEO:42.2757302;-83.7351764
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=1084 East Hall 530 Church St. Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=530 Church St.:geo:-83.7351764,42.2757302
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20171121T133000
DTEND;TZID=America/Detroit:20171121T143000
DTSTAMP:20260613T223109
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
END:VCALENDAR