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-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:20220313T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20221106T060000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:-0500
TZOFFSETTO:-0400
TZNAME:EDT
DTSTART:20230312T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20231105T060000
END:STANDARD
BEGIN:DAYLIGHT
TZOFFSETFROM:-0500
TZOFFSETTO:-0400
TZNAME:EDT
DTSTART:20240310T070000
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0400
TZOFFSETTO:-0500
TZNAME:EST
DTSTART:20241103T060000
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231027T160000
DTEND;TZID=America/Detroit:20231027T170000
DTSTAMP:20260604T044034
CREATED:20230913T002456Z
LAST-MODIFIED:20231112T073101Z
UID:10000627-1698422400-1698426000@micde.umich.edu
SUMMARY:MICDE / ME Seminar: Erik Draeger\, Director of the High Performance Computing Innovation Center and RADIUSS project at Lawrence Livermore National Laboratory
DESCRIPTION:Bio: Dr. Erik Draeger is the Director of the High Performance Computing Innovation Center and RADIUSS project at Lawrence Livermore National Laboratory as well as the Scientific Computing group leader at the Center for Applied Scientific Computing. He is also the Deputy Director of Application Development for the Exascale Computing Project\, jointly overseeing a portfolio of 22 Office of Science applications\, 4 NNSA applications\, and 7 co-design projects. Erik earned a Bachelor’s degree in Physics from the University of California\, Berkeley in 1995 and received a PhD in theoretical condensed matter physics from the University of Illinois\, Urbana-Champaign in 2001. He has over a decade of experience developing scientific applications to achieve maximum scalability and time to solution on next-generation architectures. He has been a finalist for the Gordon Bell Prize six times since 2005 and won the prize in 2006. \nSupercomputing at the exascale and beyond: future trends and challenges\nFor the past seven years\, the U.S. Department of Energy’s Exascale Computing Project (ECP) has funded a comprehensive push to refactor 24 application projects to efficiently utilize exascale computing hardware to solve a varied set of complex science and engineering problems. Ambitious performance and capability goals were set for each application that demanded end-to-end rethinking of traditional approaches. Through detailed performance analysis\, integration with optimized co-design frameworks and software libraries\, and the use of programming abstractions to manage data placement and kernel execution\, ECP applications recently demonstrated substantial capability and performance improvements on newly-available exascale machines. Despite significant diversity in the methods and algorithms underlying the ECP application portfolio\, several common themes emerged in how to best adapt computational workloads to heterogeneous architectures. In this talk\, an overview of best practices and lessons learned on effectively utilizing exascale hardware from the perspective of ECP applications will be presented. Strategies for developing portable\, performant code will be discussed and examples of reexamining traditional algorithms and methods will be described. Armed with this knowledge\, researchers can go beyond simply surviving an uncertain and turbulent computing future to instead leading a wave of scientific and computational innovation as traditional approaches are reexamined and new approaches adopted. \n  \n\n  \nThe MICDE Fall 2023 Seminar Series is open to all. University of Michigan faculty and students interested in predicting and explaining the properties of materials using computer simulation are encouraged to attend. \nThis seminar is cohosted by the Michigan Institute for Computational Discovery & Engineering (MICDE) and the Department of Mechanical Engineering (ME). Dr. Draeger will be hosted by Dr. Vikram Gavini\, Professor of Mechanical Engineering. \nThis is an in-person event. \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/micde-me-seminar-erik-draeger-director-hpc-innovation-center-llnl-deputy-director-doe-exascale-computing-project/
LOCATION:1670 Bob and Betty Beyster Building\, 2260 Hayward Street\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,Micde,Micde Seminar,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/09/Erik-Draeger.png
GEO:42.2930138;-83.716372
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=1670 Bob and Betty Beyster Building 2260 Hayward Street Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=2260 Hayward Street:geo:-83.716372,42.2930138
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231026T110000
DTEND;TZID=America/Detroit:20231026T130000
DTSTAMP:20260604T044034
CREATED:20231017T170318Z
LAST-MODIFIED:20231107T231334Z
UID:10000658-1698318000-1698325200@micde.umich.edu
SUMMARY:SciML Webinar: Bowen Deng - CHGNet: pretrained universal interatomic potential to study electron coupled ionic systems.
DESCRIPTION:https://umich.zoom.us/j/95111677727?pwd=V1Q5MkUwT2NpOFVhd0ZRVGR1YTM3Zz09 \n\nSpeaker: Bowen Deng (UC Berkeley)\nSession Chair: Sakidja Ridwan (Missouri State University) \nAbstract: Large-scale simulations with complex electron interactions remain one of the greatest challenges for atomistic modeling. Although classical force fields often fail to describe the\ncoupling between electronic states and ionic rearrangements\, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-\nscale simulations\, which are essential to study technologically relevant phenomena. Our work presents the Crystal Hamiltonian Graph Neural Network (CHGNet)\, a graph-neural-\nnetwork-based machine-learning interatomic potential (MLIP) that models the universal potential energy surface. CHGNet is pretrained on the energies\, forces\, stresses\, and magnetic moments\nfrom the Materials Project Trajectory Dataset\, which consists of over 10 years of density functional theory calculations of ∼ 1.5 million inorganic structures. The explicit inclusion of\nmagnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons\, enhancing its capability to describe both atomic and electronic degrees of freedom.\nWe demonstrate several applications of CHGNet in solid-state materials and energy storage applications.
URL:https://micde.umich.edu/event/sciml-webinar-bowen-deng/
LOCATION:MI
CATEGORIES:Micde,Scientific Computing,Sciml,SciML Webinar Series,Webinar
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231019T110000
DTEND;TZID=America/Detroit:20231019T130000
DTSTAMP:20260604T044034
CREATED:20230915T150343Z
LAST-MODIFIED:20231025T194805Z
UID:10000646-1697713200-1697720400@micde.umich.edu
SUMMARY:SciML Webinar Ji Qi: DImensionality-Reduced Encoded Clusters with sTratified (DIRECT) sampling for Robust Training of Machine Learning Interatomic Potentials
DESCRIPTION:https://umich.zoom.us/j/95111677727?pwd=V1Q5MkUwT2NpOFVhd0ZRVGR1YTM3Zz09 \n\nSpeaker: Ji Qi (UC San Diego and LLNL)\nSession Chair: Daniel Schwalbe-Koda (UC Los Angeles) \nAbstract: Machine learning interatomic potentials (MLIPs) enable accurate simulations of materials at scales beyond conventional first-principles approaches\, and they have played increasingly important roles in understanding and design of materials. However\, MLIPs are only as accurate and robust as the data they are trained on. In this seminar\, I will present DImensionality-Reduced Encoded Clusters with sTratified (DIRECT) sampling as an approach to select a robust training set of structures from a large and complex configuration space. By applying DIRECT sampling on the Materials Project relaxation trajectories dataset with over one million structures and 89 elements\, we develop an improved materials 3-body graph network (M3GNet) universal potential that extrapolate more reliably to unseen structures. We further show that molecular dynamics (MD) simulations with universal potentials such as M3GNet can be used in place of expensive ab initio MD to rapidly create a large configuration space for target materials systems. For demonstration\, we combined this scheme with DIRECT sampling to develop a reliable moment tensor potential for titanium hydrides without the need for iterative augmentation of training structures. \nIn this seminar\, I will walk through two Jupiter notebooks to showcase DIRECT sampling with the two example cases demonstrated in our manuscript\, so that audience can expect to reproduce our major results with no trouble. Hopefully\, DIRECT sampling will serve as a straightforward\, efficient\, useful plug-in for the robust training of MLIPs across any compositional complexity.
URL:https://micde.umich.edu/event/workshop-seminarsciml-webinar-ji-qi-2/
LOCATION:MI
CATEGORIES:Micde,Scientific Computing,Sciml,SciML Webinar Series,Webinar
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231012T110000
DTEND;TZID=America/Detroit:20231012T130000
DTSTAMP:20260604T044034
CREATED:20230915T150330Z
LAST-MODIFIED:20231018T173554Z
UID:10000644-1697108400-1697115600@micde.umich.edu
SUMMARY:SciML Webinar Justin Beroz: A closed-form mathematical framework for modeling turbulent fluids
DESCRIPTION:Speaker: Justin Beroz (ReynKo Inc.) \n\nSession Chair: Varun Shankar (Physics Inverted Mataerials) \nAbstract: Despite significant advances over the past two centuries\, a complete general mathematical framework for turbulent fluid motion has yet to be put forth\, and remains the longest standing unsolved problem in classical physics. I will present such a framework\, which is based on constructing a spectral decomposition for the fluid’s kinetic energy from first principles. The approach departs from the usual Reynolds decomposition and yields a set of closed and solvable ordinary differential equations in matrix form. Within this prescription\, the linear terms in the Navier-Stokes equations correspond to a symmetric matrix operator\, and the nonlinear convective term enters as an anti-symmetric operator that provides coupling between eigenstates of turbulent fluctuation. Specifically\, I will present a derivation for the turbulent energy spectrum\, including the Kolmogorov energy cascade; elucidate instability mechanisms for the transition to turbulence;  and detail the analytical solution for turbulence in a box. Careful attention will be given to the physical picture and scaling\, in addition to the rigorous mathematical program. The talk will conclude with a forward look into current efforts implementing the model into a numerical simulation within my company\, ReynKo Inc.
URL:https://micde.umich.edu/event/workshop-seminarsciml-webinar-justin-beroz/
LOCATION:MI
CATEGORIES:Micde,Scientific Computing,Sciml,SciML Webinar Series,Webinar
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231011T110000
DTEND;TZID=America/Detroit:20231011T120000
DTSTAMP:20260604T044034
CREATED:20230927T154544Z
LAST-MODIFIED:20231211T234457Z
UID:10000655-1697022000-1697025600@micde.umich.edu
SUMMARY:MICDE / LANL T Division - James Patrick Colgan\, Deputy Division Leader Los Alamos  National Laboratory Theoretical Division
DESCRIPTION:Join us to learn more about the Theoretical Division of Los Alamos National Laboratory.  Are you familiar with the Oppenheimer movie?\nYou can also hear about the exciting opportunities available for graduate students and post docs at LANL. \nSpeaker: James Patrick Colgan\, Deputy Division Leader Los Alamos National Laboratory \n  \nBio: James Colgan is the Deputy Division Leader of Theoretical Division at Los\nAlamos National Laboratory. James received his BSc and PhD degrees in Theoretical\nPhysics from Queen’s University\, Belfast\, Northern Ireland. After a post-doctoral\nposition at Auburn University\, he joined LANL in 2003 as a post-doctoral researcher\nand was converted to a staff scientist position in 2005 in Theoretical Division. James\nbecame Group Leader of the Physics and Chemistry of Materials (T-1) in 2017 and\nbecame Deputy Division Leader in 2022. James has published extensively in atomic\nand plasma physics and was elected a Fellow of the American Physical Society (APS)\nin 2012 and a Fellow of the U.K. Institute of Physics (IOP) in 2021 \nAn overview of Los Alamos National Laboratory and the Theoretical Division\nAbstract: An overview of the activities of Los Alamos National Laboratory (LANL)\nare presented. LANL was founded in 1943 under the leadership of J. Robert\nOppenheimer to direct the “Manhattan Project” – a top-secret project to create the\natomic bomb. Now 80 years later\, in 2023\, LANL is tasked by the nation through the\nDepartment of Energy and National Nuclear Security Administration to deliver\nnational security solutions to address the issues faced by the nation and world.\nLANL achieves its mission by applying multidisciplinary science\, technology and\nengineering capabilities using unique experimental\, computational\, and nuclear\nfacilities.\nThis overview will provide a brief survey of LANL’s activities and then will focus on\nthe research & development portfolio of LANL’s Theoretical (T) Division (part of the\nDirectorate for Simulation & Computation). T Division\, which has existed since the\ninception of LANL\, aims to provide excellence in basic and applied theoretical\nresearch across many disciplines\, notably computational materials science and the\ndevelopment of cutting-edge computational tools to support the national security\nmission of the Laboratory.
URL:https://micde.umich.edu/event/workshop-seminaran-overview-of-los-alamos-national-laboratory-and-the-theoretical-division/
LOCATION:Lurie Robert H. Engin. Ctr – Johnson Rooms (LEC 3213)
CATEGORIES:Micde,Micde Seminar,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/09/LANL-Logo.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231010T130000
DTEND;TZID=America/Detroit:20231010T170000
DTSTAMP:20260604T044034
CREATED:20230817T202937Z
LAST-MODIFIED:20231009T151118Z
UID:10000611-1696942800-1696957200@micde.umich.edu
SUMMARY:MICDE ACES Mini-Symposium: MICDE Catalyst Grant Showcase
DESCRIPTION:MICDE is excited to present the Advanced Computational Science & Engineering Showcase (ACES) mini-symposium. ACES is a highly anticipated event aiming to highlight current trends and hot topics in computational science\, machine learning and AI. This event showcases the outstanding research supported by the MICDE Catalyst Grant and provides a unique opportunity to share your ideas and network with fellow faculty members during a networking reception. \nThis year’s mini-symposium features the following exceptional faculty: \n\n\n\n\n\n\n\n\nGary Luker\, Professor | Department of Radiology | Department of Biomedical Engineering | Department of Microbiology and Immunology\nSalar Fattahi\, Assistant Professor | Department of Industrial and Operations Engineering\nJesse Capecelatro\, Associate Professor | Department of Mechanical Engineering | Department of Aerospace Engineering\n\n\n\n\n\n\n\nVenkat Viswanathan\, Associate Professor | Department of Aerospace Engineering\nGeorge Tzimpragos\, Assistant Professor | Department of Computer Science and Engineering\nGokul Ravi\, Assistant Professor | Department of Electrical Engineering and Computer Science\n\n\n\n  \nSchedule: \n\n\n\nSpeaker\nDepartment \nTime\nTitle\n\n\nVancho Kocevski\nMICDE\n1:00 pm\nMICDE Welcome\n\n\n\n\n1:05 pm\nFelicitation of Krishna Garikipati for his contributions to Computational Science & Engineering @ UM\n\n\nGary Luker\nRadiology | Biomedical Engineering | Microbiology and Immunology\n1:30 pm\nA physics-constrained AI framework for cancer cell migration\n\n\nSalar Fattahi\nIndustrial and Operations Engineering\n1:55 pm\nScalable Inference of Dynamic Graphical Models with Combinatorial Structures\n\n\nBreak\n \n2:20 pm\n\n\n\nJesse Capecelatro\nMechanical Engineering | Aerospace Engineering\n2:30 pm\nParticle-laden flows: simulations and data-driven modeling\n\n\nVenkat Viswanathan\nAerospace Engineering\n2:55 pm\nAI Foundation models for materials science\n\n\nBreak\n \n3:20 pm\n\n\n\nGeorge Tzimpragos\nElectrical Engineering and Computer Science \n3:30 pm\nBeating Resistance\n\n\nGokul Ravi\nElectrical Engineering and Computer Science \n3:55 pm\nA Hybrid Quantum-Classical Computing Ecosystem\n\n\nNetworking Session\n \n4:30 pm\n\n\n\nAdjourn\n \n5:15 pm\n\n\n\n\n  \nThe event finishes with a networking reception\, where faculty members can share their research ideas and future plans\, sparking collaborations.
URL:https://micde.umich.edu/event/conference-symposiummicde-aces-mini-symposium/
LOCATION:Lurie Robert H. Engin. Ctr – Johnson Rooms\, 3rd floor
CATEGORIES:Aces,Computation,Computational Modeling,Computational Science,Computational Social Science,computing,Research,Science,Scientific Computing,symposium
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231005T140000
DTEND;TZID=America/Detroit:20231005T150000
DTSTAMP:20260604T044034
CREATED:20230915T193609Z
LAST-MODIFIED:20231004T170032Z
UID:10000647-1696514400-1696518000@micde.umich.edu
SUMMARY:LANL XPS Seminar: Mark W. Schraad\, Division Leader for Computational Physics at Los Alamos National Laboratory
DESCRIPTION:Bio: Mark W. Schraad earned his Ph.D. in Aerospace Engineering from the University of Michigan and has nearly three decades of research and development experience at Los Alamos National Laboratory. He focused his research career on materials physics\, with specialization in structured materials and material instabilities\, while also gaining scientific leadership experience across theoretical and computational physics\, modeling and simulation\, and scientific software development for advanced computing architectures and hardware. Mark has balanced experience across Los Alamos Science\, Technology\, and Engineering and Weapons Directorates\, and across the Laboratory’s basic science and mission application portfolios. In his current position\, he serves as Division Leader for Computational Physics within the Weapons Physics Directorate at Los Alamos National Laboratory. In this role\, he is responsible for the development and delivery of LANL’s suite of mission-critical modeling and simulation software\, which is used in the design\, certification\, and assessment of the U.S. nuclear stockpile. \nHigh-Performance Computing and the Future of Big Science for Department of Energy Applications\nLos Alamos is the birthplace of computational physics and has been at the forefront of high-performance computing for nearly eight decades. Integrating physics theory and advanced numerical methods in the instantiation of multi-physics software has allowed Los Alamos to address a broad range of science and technology applications. Today\, as one of 17 Department of Energy National Laboratories\, Los Alamos continues to develop and deploy advanced software in the execution of a complex mission across national security\, energy security\, and environmental and climate science. As part of that endeavor\, the Computational Physics Division at Los Alamos develops and delivers a continuously evolving suite of production software products to design and analyze large-scale integrated physics experiments and to enable the design\, assessment\, and confident certification of the U.S. nuclear stockpile. These software products are deployed on leading-edge\, high-performance computing platforms\, such as the Trinity and Crossroads supercomputers at Los Alamos\, and the Sierra and El Capitan machines at Lawrence Livermore National Laboratory. With a shifting geopolitical landscape\, our software serves a national security mission of ever-increasing importance. Yet\, simultaneously\, the rapid pace of science and technology change places a premium on agility\, with a diversity of computing platforms and architectures coming online\, and with AI poised to revolutionize approaches to modern science. Ultimately\, an integration of artificial intelligence methodologies with the co-design of software and future computing architectures will allow new levels of physics fidelity\, numerical accuracy\, and efficiency in time to solution for the most challenging scientific workflows to address a broad spectrum of future\, big-science problems. \n  \nSnacks and refreshments will be provided!
URL:https://micde.umich.edu/event/lanl-xps-seminar-mark-w-schraad-division-leader-los-alamos-national-laboratory/
LOCATION:Johnson Rooms\, Lurie Engineering Center\, 3rd Floor LEC 3213ABC\, 1221 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:Micde Seminar,MICDE Seminar Series,Scientific Computing
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/09/Mark-W.-Schraad.png
GEO:42.2914823;-83.7138452
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=Johnson Rooms Lurie Engineering Center 3rd Floor LEC 3213ABC 1221 Beal Ave. Ann Arbor MI United States;X-APPLE-RADIUS=500;X-TITLE=1221 Beal Ave.:geo:-83.7138452,42.2914823
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231005T110000
DTEND;TZID=America/Detroit:20231005T123000
DTSTAMP:20260604T044034
CREATED:20230918T024126Z
LAST-MODIFIED:20231018T165056Z
UID:10000649-1696503600-1696509000@micde.umich.edu
SUMMARY:SciML Webinar: Jianke Yang - Generative Adversarial Symmetry Discovery
DESCRIPTION:Speaker: Jianke Yang (UC San Diego) \n\n\nSession Chair: Bharath Ramsundar (Deep Forest Sciences) \nAbstract:Despite the success of equivariant neural networks in scientific applications\, they require knowing the symmetry group a priori. Automatic symmetry discovery methods aim to relax this constraint and learn invariance and equivariance from data.  We propose a framework\, LieGAN\, to automatically discover equivariances from a dataset using a paradigm akin to generative adversarial training. Specifically\, a generator learns a group of transformations applied to the data\, which preserves the original distribution and fools the discriminator. LieGAN represents symmetry as an interpretable Lie algebra basis and can discover various symmetries such as the rotation group and the restricted Lorentz group in trajectory prediction and top-quark tagging tasks. More generally\, LieGAN can also be extended to discover the nonlinear symmetries in high-dimensional dynamics. The learned symmetry can be readily used in several existing equivariant neural networks to improve prediction accuracy and generalization. It can also improve the symbolic equation discovery and long-term forecasting for various dynamical systems. \n\n\n 
URL:https://micde.umich.edu/event/sciml-webinar-jianke-yang-generative-adversarial-symmetry-discovery/
LOCATION:MI
CATEGORIES:Sciml,SciML Webinar Series
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20231002T160000
DTEND;TZID=America/Detroit:20231002T170000
DTSTAMP:20260604T044034
CREATED:20230913T145953Z
LAST-MODIFIED:20231013T144409Z
UID:10000632-1696262400-1696266000@micde.umich.edu
SUMMARY:MICDE / ME Seminar:  Olivier Desjardins\, Professor of Mechanical and Aerospace Engineering at Cornell University
DESCRIPTION:Bio: Olivier Desjardins is a Professor at the Sibley School of Mechanical and Aerospace Engineering at Cornell University. He joined the Cornell MAE faculty in July 2011. Prior to that\, he was on the Mechanical Engineering faculty at the University of Colorado at Boulder. He received a Master of Science in Aeronautics and Astronautics from ENSAE (Supaero) in Toulouse\, France\, in 2004. The same year\, he received a Master of Science in Mechanical Engineering from Stanford University\, then in 2008 he obtained a Ph.D. in Mechanical Engineering from Stanford University. He received an NSF CAREER award in 2014 to work on turbulence modeling around liquid-gas interfaces\, and he was presented with the Junior Award from the International Conference on Multiphase Flow in 2016. \nResearch Interests: Prof. Desjardins’ research focuses on large-scale numerical modeling of turbulent reacting multiphase flows with industrial application. Using world-class parallel computers\, his group develops numerical methods and models to investigate the multi-scale and multi-physics fluid mechanics problems that arise in a range of engineering devices\, such as combustors or biomass reactors. \nHigh-fidelity computational techniques such as large-eddy simulations and direct numerical simulations are at the heart of Dr. Desjardins’ research. By enabling the exploration of complex non-linear flow physics from first principles\, these techniques have the potential to guide the development of highly optimized energy and propulsion systems. \nMulti-scale modeling of topology change in multiphase flow simulations\nLiquid atomization and spray formation are ubiquitous processes in nature as well as engineered system. Predicting droplet size distributions from first principle simulations presents a fantastic challenge due to the wide range of scales involved in topology change. In this talk\, we present new developments to the geometric volume of fluid method that enable the tracking of sub-grid scale interfacial features. By reconstructing the interface with multiple planar surfaces or with paraboloid surfaces\, we show that ligaments and sheets can be represented accurately independently of mesh resolution while preserving exact conservation\, good computational efficiency\, and easy integration with finite-volume-based flow solvers. A consequence of such strategies is that lack of mesh resolution no longer induces topology change\, which then needs to be reintroduced explicitly using physics-based models. We discuss various flavors of such models in the context of the break-up of thin liquid films\, a common feature in aerodynamic liquid atomization. \n  \n\n  \nThe MICDE Fall 2023 Seminar Series is open to all. University of Michigan faculty and students interested in predicting and explaining the properties of materials using computer simulation are encouraged to attend. \nThis seminar is cohosted by the Michigan Institute for Computational Discovery & Engineering (MICDE) and the Department of Mechanical Engineering (ME). Prof. Desjardins will be hosted by Dr. Jesse Capecelatro\, Associate Professor of Mechanical and Aerospace Engineering. \nThis is an in-person event. \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/workshop-seminarmicde-me-seminar-olivier-desjardins/
LOCATION:1109 FXB\, 1320 Beal Ave.\, Ann Arbor\, MI\, United States
CATEGORIES:Aerospace Engineering,College Of Engineering,Mechanical Engineering,Micde Seminar,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/09/Olivier-Desjardins.png
GEO:42.290906;-83.713503
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=1109 FXB 1320 Beal Ave. Ann Arbor MI United States;X-APPLE-RADIUS=500;X-TITLE=1320 Beal Ave.:geo:-83.713503,42.290906
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230929T120000
DTEND;TZID=America/Detroit:20230929T130000
DTSTAMP:20260604T044034
CREATED:20230817T202936Z
LAST-MODIFIED:20230912T223037Z
UID:10000610-1695988800-1695992400@micde.umich.edu
SUMMARY:MICDE / MIDAS Graduate Information Session
DESCRIPTION:The educational programs represented are: \n\nPhD in Scientific Computing (MICDE)\nGraduate Certificate in Computational Discovery & Engineering (MICDE)\nGraduate Certificate in Computational Neuroscience (MICDE)\nGraduate Certificate in Data Science (MIDAS)\n\nThese programs are open to all U-M graduate students with an interest in scientific computing or data science. These methodologies can have a wide range of applications – current and past students have come from a variety of home departments including Aerospace Engineering\, Applied Physics\, Biostatistics\, Biomedical Engineering\, Civil & Environmental Engineering\, Chemistry\, Chemical Engineering\, Climate and Space Sciences and Engineering\, Computational Medicine and Bioinformatics\, Ecology and Evolutionary Biology\, Earth and Environmental Sciences\, Epidemiology\, Health Behavior and Health Education\, Health Infrastructures & Learning Systems\, Information\, Industrial & Operations Engineering\, Kinesiology\, Linguistics\, Macromolecular Science & Engineering\, Math\, Molecular\, Cellular\, and Developmental Biology\, Mechanical Engineering\, Materials Science & Engineering\, Naval Architecture & Marine Engineering\, Nuclear Engineering & Radiological Sciences\, Neuroscience\, Pharmaceutical Sciences\, Physics\, Political Science\, Psychology\, Environment and Sustainability\, Sociology and Statistics.\nIf you have any questions about these programs or about the information session\, please reach out to MICDE (micde-contact@umich.edu) or MIDAS (midas-contact@umich.edu).
URL:https://micde.umich.edu/event/presentationgraduate-studies-in-computational-data-sciences-information-session-2-2/
LOCATION:1100 North University Building – 1528
CATEGORIES:Computation,Computational Modeling,Computational Science,Computational Social Science,data,Data Science,Deep Learning,Engineering,Free,Graduate,Graduate and Professional Students,Graduate School,Graduate Students,In Person,Interdisciplinary,Machine Learning,Micde,Michigan Engineering,Midas,Neuroscience,Prospective Graduate Students,Rackham,Research,Science,Scientific Computing
ATTACH;FMTTYPE=image/gif:https://micde.umich.edu/wp-content/uploads/2023/08/Info-session.gif
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230928T110000
DTEND;TZID=America/Detroit:20230928T123000
DTSTAMP:20260604T044034
CREATED:20230918T023335Z
LAST-MODIFIED:20231018T163755Z
UID:10000648-1695898800-1695904200@micde.umich.edu
SUMMARY:SciML Webinar: Bob Carpenter - Multiscale Generalized Hamiltonian Monte Carlo with Delayed Rejection
DESCRIPTION:Speaker: Bob Carpenter (Flatiron Institute) \n\n\nSession Chair: Sam Livingstone (University College London) \n\n\nAbstract: In this talk\, I will demonstrate how we can combine two ideas\, generalized Hamiltonian Monte Carlo and delayed rejection\, to derive a sampler that is as efficient as Hamiltonian Monte Carlo\, but is able to adapt its step size to deal with multiscale distributions\, much like a standard integrator for ordinary differential equations. A distribution is multiscale if its curvature has different scales in the posterior; a textbook example is Radford Neal’s funnel example derived from hierarchical priors\, which has a very flat mouth (corresponding to high population variance) and very highly curved neck (low population variance). No fixed step size allows exploration of its posterior. Generalized HMC allows us to take a single Hamiltonian step along the gradient at a time (which is equivalent to Metropolis-adjusted Langevin dynamics)\, but only refresh momentum partially (which makes it underdamped). The naive form of this algorithm does not work because momentum must be reversed to maintain detailed balance if the Metropolis step rejects. To maintain directed exploration\, we apply delayed rejection\, which allows a proposal rejected due to divergence of the Hamiltonian (from too large a step size in the first-order approximation of the dynamics) to be retried with a smaller step size (with a Hastings-style adjustment for the retry). We show that the combination of delayed rejection and GHMC allows sampling multiscale distributions which otherwise lead to biased samples in standard Hamiltonian Monte Carlo (including dynamic forms such as the no-U-turn sampler). In conclusion\, I will discuss some preliminary work on applying the the automatic tuning method using complementary parallel chains developed by Matt Hoffman and Pavel Sountsov for their sampler MEADS (which also uses generalized HMC\, but with an alternative approach to maintaining directed exploration based on work of Radford neal\, which will also describe). \n\nSlides: https://statmodeling.stat.columbia.edu/wp-content/uploads/2023/09/carpenter-sciml-webinar-2023.pdf
URL:https://micde.umich.edu/event/sciml-webinar-bob-carpenter-multiscale-generalized-hamiltonian-monte-carlo-with-delayed-rejection/
LOCATION:MI
CATEGORIES:Sciml,SciML Webinar Series
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230927T160000
DTEND;TZID=America/Detroit:20230927T170000
DTSTAMP:20260604T044034
CREATED:20230817T202936Z
LAST-MODIFIED:20230912T222916Z
UID:10000612-1695830400-1695834000@micde.umich.edu
SUMMARY:MICDE / MIDAS Graduate Information Session
DESCRIPTION:The educational programs represented are: \n\nPhD in Scientific Computing (MICDE)\nGraduate Certificate in Computational Discovery & Engineering (MICDE)\nGraduate Certificate in Computational Neuroscience (MICDE)\nGraduate Certificate in Data Science (MIDAS)\n\nThese programs are open to all U-M graduate students with an interest in scientific computing or data science. These methodologies can have a wide range of applications – current and past students have come from a variety of home departments including Aerospace Engineering\, Applied Physics\, Biostatistics\, Biomedical Engineering\, Civil & Environmental Engineering\, Chemistry\, Chemical Engineering\, Climate and Space Sciences and Engineering\, Computational Medicine and Bioinformatics\, Ecology and Evolutionary Biology\, Earth and Environmental Sciences\, Epidemiology\, Health Behavior and Health Education\, Health Infrastructures & Learning Systems\, Information\, Industrial & Operations Engineering\, Kinesiology\, Linguistics\, Macromolecular Science & Engineering\, Math\, Molecular\, Cellular\, and Developmental Biology\, Mechanical Engineering\, Materials Science & Engineering\, Naval Architecture & Marine Engineering\, Nuclear Engineering & Radiological Sciences\, Neuroscience\, Pharmaceutical Sciences\, Physics\, Political Science\, Psychology\, Environment and Sustainability\, Sociology and Statistics.\nIf you have any questions about these programs or about the information session\, please reach out to MICDE (micde-contact@umich.edu) or MIDAS (midas-contact@umich.edu).
URL:https://micde.umich.edu/event/presentationgraduate-studies-in-computational-data-sciences-information-session/
LOCATION:Lurie Robert H. Engin. Ctr – Johnson Rooms\, 3rd floor
CATEGORIES:Computation,Computational Modeling,Computational Science,Computational Social Science,data,Data Science,Deep Learning,Engineering,Free,Graduate,Graduate and Professional Students,Graduate School,Graduate Students,In Person,Interdisciplinary,Machine Learning,Micde,Michigan Engineering,Midas,Neuroscience,Prospective Graduate Students,Rackham,Research,Science,Scientific Computing
ATTACH;FMTTYPE=image/gif:https://micde.umich.edu/wp-content/uploads/2023/08/Info-session.gif
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230926T123000
DTEND;TZID=America/Detroit:20230926T130000
DTSTAMP:20260604T044034
CREATED:20230913T145952Z
LAST-MODIFIED:20230921T195259Z
UID:10000631-1695731400-1695733200@micde.umich.edu
SUMMARY:MICDE Ph.D. Student Seminar: Haowei Sun
DESCRIPTION:The MICDE PhD Student Seminar Series showcases the research of students in the Ph.D. in Scientific Computing. These events are open to the public\, but we ask that you register to attend the seminar. If you have any questions\, please email micde-events@umich.edu. \nRegister to attend this seminar \nTera City: Accurate and Efficient AV Safety Performance Evaluation\nThis talk is aiming at mitigating current simulation-based AV safety performance evaluation approaches. Tera City is composed of naturalistic driving environment construction and intelligent testing environment construction\, which provided accuracy and efficiency\, respectively. \nHaowei Sun\, Ph.D. candidate in Civil and Environmental Engineering and Scientific Computing \nHaowei Sun is a Ph.D. candidate at Civil Engineering\, Next Generation Transportation System Program. His research focus is mainly on the safety validation and verification of autonomous vehicles. \nRegister to attend this seminar
URL:https://micde.umich.edu/event/phd-seminar-haowei-sun/
LOCATION:2022 South Thayer Building
CATEGORIES:Civil and Environmental Engineering,Computation,Computational Science,Engineering,Free,Graduate,Graduate and Professional Students,Graduate School,Graduate Students,In Person,Interdisciplinary,Michigan Engineering,Phd Seminar,Prospective Graduate Students,Rackham,Science,Scientific Computing,Seminar,Talk
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/09/Haowei-Sun.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230922T150000
DTEND;TZID=America/Detroit:20230922T160000
DTSTAMP:20260604T044034
CREATED:20230823T205958Z
LAST-MODIFIED:20231002T135627Z
UID:10000624-1695394800-1695398400@micde.umich.edu
SUMMARY:MICDE / AIM Seminar: Lin Lin\, Professor of Mathematics at University of California Berkeley
DESCRIPTION:Bio: Lin Lin is a Professor in the Department of Mathematics at UC Berkeley\, and a Faculty Scientist in the Mathematics Group at Lawrence Berkeley National Laboratory. His research centers on solving quantum many-body problems by employing both classical and contemporary methods. These techniques prove valuable across various domains\, including quantum chemistry\, quantum physics\, materials science\, and quantum information theory. He has received the Sloan Research Fellowship (2015)\, the National Science Foundation CAREER award (2017)\, the Department of Energy Early Career award (2017)\, the (inaugural) SIAM Computational Science and Engineering (CSE) early career award (2017)\, the Presidential Early Career Awards for Scientists and Engineers (PECASE) (2019)\, the ACM Gordon Bell Prize (Team\, 2020)\, and the Simons Investigator in Mathematics award (2021). \nQuantum algorithms for eigenvalue problems\nThe problem of finding the smallest eigenvalue of a Hermitian matrix\, known as the ground state energy in quantum physics\, has broad applications. Recent years have witnessed significant algorithmic progresses including near-optimal asymptotic complexity\, algorithms with a minimal number of required logical qubits\, and even optimized preconstants. In this talk\, I will first introduce basic quantum algorithm concepts for a non-expert audience and overview these advancements. I will then introduce a recent progress in leveraging ideas from open quantum systems to solve the eigenvalue problem\, which allows us to start from a state with zero overlap with the target state. \n  \n\n  \nThe MICDE Fall 2023 Seminar Series is open to all. University of Michigan faculty and students interested in predicting and explaining the properties of materials using computer simulation are encouraged to attend. \nThis seminar is cohosted by the Michigan Institute for Computational Discovery & Engineering (MICDE) and Applied & Interdisciplinary Mathematics (AIM). Prof. Lin will be hosted by Dr. Emanuel Gull\, Associate Professor of Theoretical Condensed Matter Physics. \nThis is an in-person event. \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/workshop-seminaraim-seminar-lin-lin/
LOCATION:East Hall – 1084
CATEGORIES:Featured Events,Mathematics,Micde Seminar,MICDE Seminar Series
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/08/Lin-Lin-small.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230921T110000
DTEND;TZID=America/Detroit:20230921T123000
DTSTAMP:20260604T044034
CREATED:20230914T172942Z
LAST-MODIFIED:20231018T162319Z
UID:10000643-1695294000-1695299400@micde.umich.edu
SUMMARY:SciML Webinar: David Ruhe - Geometric Clifford Algebra Networks
DESCRIPTION:Speaker: David Ruhe (University of Amsterdam) \n\n\nSession Chair: Erik Bekkers (University of Amsterdam) \n\nAbstract: In this talk\, I will present Clifford Group Equivariant Neural Networks\, an innovative method for building E(n)-equivariant networks based on Clifford (geometric) algebras. First\, I will give an introduction to the Clifford algebra and its geometric applications. Then\, I will introduce the Clifford group and how it always acts through the orthogonal group. As such\, a parameterization that is equivariant to the Clifford group will automatically be equivariant to the orthogonal group of\, e.g.\, rotations and reflections. We show that any polynomial (under the algebra’s geometric product) is such a parameterization.  We propose several layers from these insights and conduct experiments in three-\, four-\, and five-dimensional spaces. One of these experiments even includes equivariance to the nondefinite O(1\,3) Lorentz group from the same code implementation. Finally\, I will provide guidance on how to utilize our codebase for implementing these algorithms.
URL:https://micde.umich.edu/event/sciml-webinar-david-ruhe-geometric-clifford-algebra-networks/
LOCATION:MI
CATEGORIES:SciML Webinar Series
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230920T150000
DTEND;TZID=America/Detroit:20230920T170000
DTSTAMP:20260604T044034
CREATED:20230822T205955Z
LAST-MODIFIED:20230912T214901Z
UID:10000623-1695222000-1695229200@micde.umich.edu
SUMMARY:MICDE Fellow Welcome Event
DESCRIPTION:MICDE is organizing a welcome event for its new fellows. During this event we will share with you the guidelines and process for utilizing your fellowship award funds\, as well as the resources and benefits you now have access to as a part of the MICDE community of fellows. Additionally\, you will receive a professionally-taken headshot free of charge (please dress accordingly). You will also have some time to introduce yourselves and get to know one another. Sandwiches\, cookies\, and beverages will be provided.
URL:https://micde.umich.edu/event/othermicde-fellow-welcome-event/
LOCATION:Rackham Graduate School (Horace H.) – Earl Lewis
CATEGORIES:Micde
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/08/MICDE-Fellow-Welcome-Event.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230817T080000
DTEND;TZID=America/Detroit:20230817T170000
DTSTAMP:20260604T044034
CREATED:20230816T164443Z
LAST-MODIFIED:20230831T171725Z
UID:10000608-1692259200-1692291600@micde.umich.edu
SUMMARY:Other:MICDE website launch
DESCRIPTION:New MICDE website will be going live.
URL:https://micde.umich.edu/event/othermicde-website-launch/
LOCATION:Off Campus Location
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230412T160000
DTEND;TZID=America/Detroit:20230412T170000
DTSTAMP:20260604T044034
CREATED:20230714T151826Z
LAST-MODIFIED:20260522T152717Z
UID:10000602-1681315200-1681318800@micde.umich.edu
SUMMARY:MICDE Seminar: Paul Kent\, PhD\, Distinguished Research Scientist at Oak Ridge National Laboratory
DESCRIPTION:Dr Kent`s research is focusing on predicting and explaining the properties of materials using computer simulation. Over the last two decades\, advances in simulation techniques coupled with increasing computer power have led to several methods that are able to predict physical properties of real materials to a useful accuracy. Moreover\, these methods use little or no experimental data\, making them especially valuable for the study of new materials and devices. Dr. Kent specializes in the application and development of these so-called “first principles” methods. \nHis research interests are broadly focused on atomistic materials simulation. His ongoing research projects include: \n\nQuantum Monte Carlo for real materials\nLarge length and timescale quantum molecular dynamics calculations\nCharacterization\, optimization\, and design of nanoscale systems with desired properties\nCombined density functional and many-body calculations of correlated electron systems such as the copper-oxide superconductors\nReactive classical molecular dynamics\nSimulation methods for exploitation of Exascale supercomputers and emergent architectures\n\n\n\n\n\n\nDr. Kent is the director of  the Center for Predictive Simulation of Functional Materials. He also leads the  development of the QMCPACK application for exascale computing as part of the Exascale Computing Project. QMCPACK is a high-performance Quantum Monte Carlo code for computing the electronic structure of atoms\, molecules and solids\, including metals. QMCPACK is open source and available on GitHub. \nDr Kent is a member of the Nanotheory Institute at the Center for Nanophase Materials Sciences (CNMS) and the Computational Chemical and Materials Science group in the Computational Science and Engineering Division. He spent three years at NREL with Alex Zunger after completing his PhD with Richard Needs at the University of Cambridge. For several years he worked with Mark Jarrell at the University of Cincinnati on high-temperature cuprate superconductors. In 2009 he transitioned from JICS/UT Knoxville to ORNL. \nAwards: \n\nORNL Director’s Award for Outstanding Individual Accomplishment in Science and Technology\, 2020.\nAPS Fellowship\, nominated by the Division of Computational Physics\, 2017.\nACM Gordon Bell Prize\, 2008.\n\nProfessional Service: \n\nGrant reviewer for US DOE and NSF\nReviewer for APS\, ACS\, IOP\, Elsevier\, Springer Nature etc.\n\nAccurate Quantum Materials  Predictions on the Largest Supercomputers\nAdvances in the field of computational materials science have helped to predict\, understand\, and optimize the properties of many classes of materials. These include new battery electrodes\, catalysts\, and arguably even higher-temperature superconductors. However\, we still lack a widely usable method where all the key uncertainties and approximations in the predictions can be assessed and systematically reduced. This is critical where the approximations in established methods fail\, such as in quantum materials\, or simply where greater accuracy is desired. In this talk I will first describe our recent advances in Quantum Monte Carlo methods that promise to meet this challenge. Second\, I will describe the new algorithms and performance portable software design and development strategies we have adopted to run efficiently on the largest supercomputers powered by GPU accelerators from NVIDIA\, AMD and Intel. The lessons learned can be applied in any area of scientific software development. \n\nThe MICDE Winter 2023 Seminar Series is open to all. University of Michigan faculty and students interested in predicting and explaining the properties of materials using computer simulation are encouraged to attend. \nThis seminar is cohosted by the Michigan Institute for Computational Discovery & Engineering (MICDE) and the Department of Physics. Dr. Kent will be hosted by Dr. Emanuel Gull\, Associate Professor of Theoretical Condensed Matter Physics. \nThis is an in-person event. \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-paul-kent-phd-distinguished-research-scientist-at-oak-ridge-national-laboratory/
LOCATION:411 West Hall (1085 S. University)\, 1085 S. University Ave\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Education,Featured Events,MICDE Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/07/Paul-Kent.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230316T163000
DTEND;TZID=America/Detroit:20230316T170000
DTSTAMP:20260604T044034
CREATED:20230123T090003Z
LAST-MODIFIED:20230809T181913Z
UID:10000601-1678984200-1678986000@micde.umich.edu
SUMMARY:PhD Seminar: Xintao Yan
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nXintao Yan\, PhD Candidate\, Civil and Environmental Engineering and Scientific Computing\nXintao Yan is currently a Ph.D. candidate in the Department of Civil and Environmental Engineering at the University of Michigan\, Ann Arbor\, advised by Professor Henry Liu. He received his bachelor’s degree from the Department of Automotive Engineering at Tsinghua University\, China in 2018. His research interests are mainly about the safety of connected and automated vehicles\, including naturalistic driving behavior modeling and automated driving system evaluation. \nSimulating Naturalistic Driving Environment for Autonomous Vehicles\nSimulation provides a controllable\, efficient\, and low-cost venue for both developing and testing autonomous vehicles (AV). But for simulation to be an effective tool\, statistical realism of the simulated driving environment is a must. In this talk\, we will introduce methods to simulate naturalistic driving environment for AV testing purposes. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-xintao-yan/
LOCATION:Venue TBA\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Yan.png
GEO:42.3053253;-83.6694169
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230316T160000
DTEND;TZID=America/Detroit:20230316T163000
DTSTAMP:20260604T044034
CREATED:20230123T090003Z
LAST-MODIFIED:20230809T182009Z
UID:10000597-1678982400-1678984200@micde.umich.edu
SUMMARY:PhD Seminar: Xingmin Wang
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nXingmin Wang\, PhD Candidate\, Civil and Environmental Engineering and Scientific Computing\nXingmin Wang is currently a Ph.D. candidate in the Department of Civil and Environmental Engineering at the University of Michigan\, Ann Arbor\, advised by Professor Henry Liu. He obtained his bachelor’s degree in the school of vehicle and mobility from Tsinghua University\, in 2018. His research interests include traffic state estimation and traffic network optimization with connected and automated vehicles.  \nTraffic signal optimization with connected vehicle trajectories\nTraffic signal retiming is one of the most cost-effective methods for reducing congestion and energy consumption in urban areas based on the existing road infrastructure. However\, high installation and maintenance costs of vehicle detectors have prevented the widespread implementation of adaptive traffic control systems (ATSC). Therefore\, most intersections are still controlled by fixed-time traffic signals which are not updated regularly due to the lack of traffic monitoring capabilities. In the past few years\, vehicle trajectory data has become increasingly available and offers many advantages over detectors and other infrastructure-based sensors for traffic monitoring; but using such data for automatic traffic signal diagnosis and optimization at scalable implementable levels is relatively unexplored. To fill this gap\, this work proposes Optimizing Traffic Signals as a Service (OSaaS)\, an integrated traffic signal re-timing system that uses vehicle trajectories as the main input. OSaaS addresses many of the current challenges relating to signal retiming with trajectory data such as incomplete observation due to limited penetration rates. The system builds a queueing model that reconstructs the overall average traffic state\, calibrated from performance measurements directly obtained from vehicle trajectories. The calibrated queueing model then predicts and evaluates network performance under different traffic signal parameters to provide diagnostics and direct traffic signal retiming guidance. In April 2022\, a citywide field test of OSaaS was conducted in Birmingham\, Michigan\, with 34 signalized intersections. This resulted in decreases in both the delay and number of stops by up to 20% and 30%\, respectively. OSaaS provides a more scalable\, sustainable\, resilient\, and efficient solution to traffic signal retiming without requiring any additional infrastructure through the exclusive utilization of currently available trajectory data. As a result\, it presents the possibility of upgrading all existing fixed-time traffic signals to dynamic systems with periodical parameter updates\, something that is not currently possible without significant investments in infrastructure-based traffic flow sensors. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-xingmin-wang/
LOCATION:Venue TBA\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Wang-1.png
GEO:42.3053253;-83.6694169
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230309T163000
DTEND;TZID=America/Detroit:20230309T170000
DTSTAMP:20260604T044034
CREATED:20230209T090003Z
LAST-MODIFIED:20230809T184654Z
UID:10000600-1678379400-1678381200@micde.umich.edu
SUMMARY:PhD Seminar: Jiahao Shi
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nJiahao Shi\, PhD Candidate\, Industrial and Operations Engineering and Scientific Computing\nHe is from industrial and Operations Engineering department and is working on constrained stochastic optimization. \nAccelerating Stochastic Sequential Quadratic Programming for Equality Constrained Optimization using Predictive Variance Reduction\nWe propose a stochastic method for solving equality constrained optimization problems that utilizes predictive variance reduction. Specifically\, we develop a method based on the sequential quadratic programming paradigm that employs variance reduction in the gradient approximations. Under reasonable assumptions\, we prove that a measure of first-order stationarity evaluated at the iterates generated by our proposed algorithm converges to zero in expectation from arbitrary starting points\, for both constant and adaptive step size strategies. Finally\, we demonstrate the practical performance of our proposed algorithm on constrained binary classification problems that arise in machine learning. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-jiahao-shi/
LOCATION:Venue TBA\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Shi.png
GEO:42.3053253;-83.6694169
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230309T160000
DTEND;TZID=America/Detroit:20230309T163000
DTSTAMP:20260604T044034
CREATED:20230209T090003Z
LAST-MODIFIED:20260417T164122Z
UID:10000596-1678377600-1678379400@micde.umich.edu
SUMMARY:PhD Seminar: Kashvi Srivastava
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nKashvi Srivastava\, PhD Candidate\, Applied and Interdisciplinary Mathematics and Scientific Computing\nKashvi Srivastava is a PhD candidate in Applied and Interdisciplinary Mathematics. Her research interests lie in the applications of nonlinear dynamics in chemical kinetics. She works on analytical and computational modeling of chemical reactions using tools from perturbation theory and bifurcation theory. \nDeterministic and Stochastic Modeling of Dynamical Systems in Chemical Kinetics\nChemical reactions are ubiquitous in nature in the form of biological and physical processes. We use nonlinear ordinary differential equations to mathematically model these processes in the deterministic regime. If a given process occurs at disparate time-scales\, we can further reduce the number of equations to obtain a quasi-steady-state approximation of the system. In this talk\, we consider a significant mechanism in chemical kinetics called the Michaelis–Menten reaction and its different quasi-steady-state reductions. We focus on the challenges faced in applying classical reduction theory on the system and the conditions under which its reductions are valid in the stochastic regime. We make use of a stochastic simulation algorithm called the Gillespie algorithm to demonstrate the accuracy of the reduced systems and to disprove a commonly-accepted qualifier for the validity of the stochastic approximation.  \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-kashvi-srivastava/
LOCATION:3530 Rackham\, 915 E. Washington St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Srivastava.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230309T100000
DTEND;TZID=America/Detroit:20230309T113000
DTSTAMP:20260604T044034
CREATED:20230112T161613Z
LAST-MODIFIED:20230217T195922Z
UID:10000594-1678356000-1678361400@micde.umich.edu
SUMMARY:Stata's `margins` command
DESCRIPTION:Audience: Researchers using Stata to fit statistical models\n\nStata’s `margins` command is a powerful and robust tool that makes Stata one of the premier pieces of software for statistical analysis. In this workshop\, we will cover the basic uses of the `margins` command\, including its use to better understand categorical predictors\, interactions\, and non-linear effects; marginalization to examine variable effects while averaging over other effects; and visualizations with `marginsplot`.
URL:https://micde.umich.edu/event/statas-margins-command/
LOCATION:MI
CATEGORIES:Workshops
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230302T153000
DTEND;TZID=America/Detroit:20230302T163000
DTSTAMP:20260604T044034
CREATED:20230905T171445Z
LAST-MODIFIED:20230905T171445Z
UID:10000017-1677771000-1677774600@micde.umich.edu
SUMMARY:MICDE Seminar: Daniele Schiavazzi\, Associate Professor of Applied and Computational Mathematics and Statistics\, University of Notre Dame
DESCRIPTION:Daniele Schiavazzi is an Associate Professor in the Department of Applied and Computational Mathematics and Statistics at the University of Notre Dame. He graduated with honors and received a Ph.D. in Applied Mathematics from Universita’ degli Studi di Padova in Italy. He held postdoctoral appointments at the University of California\, San Diego and Stanford University. He is the recipient of a CAREER Award from the National Science Foundation\, a Young Faculty Award from DARPA and a Postdoctoral Fellowship from the American Heart Association. His research interests include uncertainty quantification\, cardiovascular simulation\, multi-resolution and multi-fidelity approximation\, model-based inference and inverse problems in medical imaging. \nTalk Title: NEW PARADIGMS FOR ENSEMBLE MODELING\, UNCERTAINTY QUANTIFICATION AND INFERENCE IN CARDIOVASCULAR SIMULATION \nAbstract: \nComputer simulations are increasingly used to complement clinical decision making in the diagnosis and treatment of cardiovascular disease. High-fidelity cardiovascular models are traditionally deterministic and solved using implicit time integration\, without directly accounting for uncertainty and variability in the underlying input processes\, for example boundary conditions\, material properties or segmented model anatomy. I will discuss an alternative simulation paradigm based on the explicit integration in time of an ensemble of model realizations\, running on multiple GPUs. Additionally\, I will present some results on the acceleration of traditional numerical solvers through data-driven methods based on deep neural networks\, focusing on synchronization-avoiding algorithms for distributed finite element solvers. I will finally discuss recently proposed approaches for multi-fidelity uncertainty propagation and variational inference\, combining high-fidelity cardiovascular models with their low-fidelity approximation or neural network surrogate. \n  \n\n  \nThe MICDE Fall 2022 Seminar Series is open to all. \nThis seminar is hosted by the Michigan Institute for Computational Discovery & Engineering (MICDE). Prof. Schiavazzi will be hosted by Prof. Alex Gorodetsky\, Assistant Professor of Aerospace Engineering. \nThis is an in-person event\, Zoom link will only be provided upon request. This seminar will not be recorded! \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/micde-seminar-daniele-schiavazzi-associate-professor-of-applied-and-computational-mathematics-and-statistics-university-of-notre-dame/
LOCATION:1014 H. H. Dow\, 2300 Hayward St\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE Seminar Series,Seminar
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230223T163000
DTEND;TZID=America/Detroit:20230223T170000
DTSTAMP:20260604T044034
CREATED:20230123T090003Z
LAST-MODIFIED:20230809T190922Z
UID:10000591-1677169800-1677171600@micde.umich.edu
SUMMARY:PhD Seminar: Shirlyn Wang
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nShirlyn Wang\, PhD Candidate\, Applied & Interdisciplinary Mathematics and Scientific Computing\nShirlyn Wang is a Ph.D candidate in Applied and Interdisciplinary Mathematics. Her research interest is in mathematical oncology\, the study of cancer initiation\, progression\, and therapy through data-driven mathematical models and simulations.  \nModeling CTL-mediated Tumor Cell Death Mechanisms and the Activity of Immune Checkpoints in Immunotherapy\nImmunotherapy has dramatically transformed the cancer treatment landscape. Of the variety of types of immunotherapies available\, immune checkpoint inhibitors (ICIs)\, which block inhibitory signals from tumor cells and reinvigorate killing activities of immune cells\, have gained the spotlight. Although ICIs have shown promising results for some patients\, the low response rates in many cancers highlight the challenges of using immune checkpoint blockade as an effective treatment. Cytotoxic T lymphocytes (CTLs) execute their cell-killing function via two distinct mechanisms. The first process is fast-acting and perforin/granzyme-mediated\, and the second is a slower\, Fas ligand (FasL)-driven killing mechanism. There is also evidence suggesting that the preferred killing mechanism by CTLs depends on the antigenicity of tumor cells. To determine the key factors affecting responses to checkpoint blockade therapy\, we constructed an ordinary differential equation model describing in vivo tumor-immune dynamics in the presence of active or blocked PD-1/PDL1 immune checkpoint. Specifically\, we analyzed which aspects of the tumor-immune landscape affect the response to ICIs with endpoints of tumor size and composition in the short and long term. By generating a virtual cohort with heterogeneous tumor and immune attributes\, we also simulated the therapeutic outcomes of immune checkpoint blockade in a largely diverse population. In this way\, we identified key tumor and immune characteristics that are associated with tumor elimination\, dormancy and escape. This talk will also shed light on which fraction of a population potentially responds well to ICIs and ways to enhance therapeutic outcomes with combination therapy. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-shirlyn-wang/
LOCATION:Rackham Building\, Earl Lewis Room\, 3rd Floor East\, 915 E. Washington St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
GEO:42.2807892;-83.7381556
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=Rackham Building Earl Lewis Room 3rd Floor East 915 E. Washington St. Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=915 E. Washington St.:geo:-83.7381556,42.2807892
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230223T160000
DTEND;TZID=America/Detroit:20230223T163000
DTSTAMP:20260604T044034
CREATED:20230123T090003Z
LAST-MODIFIED:20230809T191036Z
UID:10000599-1677168000-1677169800@micde.umich.edu
SUMMARY:PhD Seminar: Pei-Hsun Huang
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nPei-Hsun Huang\, PhD Candidate\, Nuclear Engineering & Radiological Sciences and Scientific Computing\nPei-Hsun is a PhD student in Nuclear Engineering & Radiological Sciences working with Professor Annalisa Manera in the Experimental and Computational Multiphase Flow Laboratory. His project involves high-temperature two-phase heat pipe technologies. \nSimulation for the Design of Sodium Heat Pipes Bundle Test Facility for the Application of Microreactors\nThe 20 MW Special Purpose Reactor (SPR) is a heat pipe cooled microreactor that designed for electricity production in remote locations where reliable power grids are not always available. The key to SPR is the alkali metal heat pipes\, which offer entirely passive operation capacity with high mobility. Prior to deployment\, safety analysis with postulated accident scenarios is required for the licensing of SPR. To this regard\, a sufficiently accurate model is crucial to predict the behavior of heat pipes\, and high-resolution data is needed for the safety analysis of SPR. However\, the current existing heat pipe models are either oversimplified or unpractical expensive in view of the difficulty of the simulation with the wick structure and two-phase flow in the heat pipe. Therefore\, high fidelity experimental data is required for model verification in the high temperature heat pipe bundle system. The Michigan Sodium Heat Pipe bundle test facility which serves as a scale-down test facility using ten sodium heat pipes with a triangular array\, was utilized to verify the model for the licensing of SPR. In the talk\, the feasibility analysis using Computer Aided Engineering and Computational Fluid Dynamics for the design of the test facility was addressed. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-pei-hsun-huang-2/
LOCATION:Rackham Building\, Earl Lewis Room\, 3rd Floor East\, 915 E. Washington St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Huang.png
GEO:42.2807892;-83.7381556
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=Rackham Building Earl Lewis Room 3rd Floor East 915 E. Washington St. Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=915 E. Washington St.:geo:-83.7381556,42.2807892
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230216T120000
DTEND;TZID=America/Detroit:20230216T130000
DTSTAMP:20260604T044034
CREATED:20230127T161137Z
LAST-MODIFIED:20230714T152013Z
UID:10000598-1676548800-1676552400@micde.umich.edu
SUMMARY:MICDE Seminar: Mark Pauly Professor of Computer Science\, École Polytechnique Fédérale de Lausanne
DESCRIPTION:WATCH THE RECORDING HERE. \nMark Pauly is a full professor at EPFL\, where he directs the Geometric Computing Laboratory (GCM). Prior to joining EPFL\, he was assistant professor at ETH Zurich\, postdoctoral scholar at Stanford University\, and doctoral student at ETH Zurich. He received the ETH medal for outstanding dissertation in 2003\, was awarded the Eurographics Young Researcher Award in 2006\, an ERC Starting Grant in 2010\, and the Eurographics Outstanding Technical Contributions Award in 2016. He is the co-founder of two EPFL spin-offs\, Faceshift AG and Rayform SA. \n  \nCOMPUTATIONAL INVERSE DESIGN OF DEPLOYABLE STRUCTURES \nResearch at the EPFL Geometric Computing Laboratory (GCM) aims at empowering creators. We develop efficient simulation and optimization algorithms to build computational design methodologies for advanced material systems and digital fabrication technology. Mathematical reasoning\, geometric abstractions\, and powerful numerical methods are key ingredients in our work.\nIn this talk I will show how these tools can be used to solve challenging inverse problems for deployable structures that can transition between multiple geometric states. Several design studies will highlight how the interplay of geometry\, computation\, and digital fabrication technologies facilitates the discovery of new material systems with superior functional performance. Such systems offer a wide variety of potential applications\, for example in industrial and consumer products\, soft robotics\, medical devices\, or architecture. \n\n  \nThe MICDE Winter 2023 Seminar Series is open to all. University of Michigan faculty and students interested in computationally designed advanced material systems and digital fabrication technology are encouraged to attend. \nThis seminar is hosted by the Michigan Institute for Computational Discovery & Engineering (MICDE). Prof. Pauly will be hosted by Prof. Evgueni Filipov\, Assistant Professor of Civil and Environmental Engineering. \nGraduate Certificate in Computational Discovery and Engineering\, and MICDE fellows\, please use this form to record your attendance. \nQuestions? Email MICDE-events@umich.edu
URL:https://micde.umich.edu/event/mark-pauly-professor-at-the-school-of-computer-and-communication-sciences-ecole-polytechnique-federale-de-lausanne/
LOCATION:MI
CATEGORIES:Education,Featured Events,MICDE Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/01/Mark-Pauly.png
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230207T093000
DTEND;TZID=America/Detroit:20230207T153000
DTSTAMP:20260604T044034
CREATED:20230112T160800Z
LAST-MODIFIED:20230217T195922Z
UID:10000593-1675762200-1675783800@micde.umich.edu
SUMMARY:Introduction to Stata (Beginner)
DESCRIPTION:Audience: Those who have never used Stata before but wish to learn. \nBy the end of the workshop\, participants will be able to: Work with Stata\, including using Do-files and using the help system; Get data into Stata and manage your data files; Establish familiarity with your data; Clean the data to prepare it for analysis; Check for basic errors in the data; Generate new variables or manipulate existing variables; Merge or reshape the data.; Produce summary tables and descriptive statistics. \nNote: This workshop does NOT cover any statistical modeling.
URL:https://micde.umich.edu/event/introduction-to-stata-beginner/
LOCATION:MI
CATEGORIES:Workshops
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230127T100000
DTEND;TZID=America/Detroit:20230127T113000
DTSTAMP:20260604T044034
CREATED:20230112T150614Z
LAST-MODIFIED:20230217T195921Z
UID:10000592-1674813600-1674819000@micde.umich.edu
SUMMARY:Matching with R
DESCRIPTION:Audience: Researchers who are use or are interested in using matching. Taught in R (familiarity is assumed) but concepts transfer to other software.\n\nAn introduction to matching\, such as propensity score matching\, using R’s “optmatch” package. We will discuss the theory behind matching and propensity scores\, followed by examples using R to perform the matching and judging the match quality\, as well as speeding up the matching operation.r
URL:https://micde.umich.edu/event/matching-with-r/
LOCATION:Rackham Building\, Earl Lewis Room\, 3rd Floor East\, 915 E. Washington St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Workshops
GEO:42.2807892;-83.7381556
X-APPLE-STRUCTURED-LOCATION;VALUE=URI;X-ADDRESS=Rackham Building Earl Lewis Room 3rd Floor East 915 E. Washington St. Ann Arbor MI 48109 United States;X-APPLE-RADIUS=500;X-TITLE=915 E. Washington St.:geo:-83.7381556,42.2807892
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=America/Detroit:20230126T163000
DTEND;TZID=America/Detroit:20230126T170000
DTSTAMP:20260604T044034
CREATED:20230104T090003Z
LAST-MODIFIED:20230809T191218Z
UID:10000595-1674750600-1674752400@micde.umich.edu
SUMMARY:PhD Seminar: Gurmeet Singh
DESCRIPTION:The Ph.D. in Scientific Computing program is intended for students who will make extensive use of large-scale computation\, computational methods\, or algorithms for advanced computer architectures in their doctoral studies. This seminar series showcases the breadth of research covered by the program.  \nFeatured Speaker:\nGurmeet Singh\, PhD Candidate\, Aerospace Engineering and Scientific Computing\nGurmeet is a Ph.D. candidate in the Department of Aerospace Engineering. His research interests lie in the field of computational solid mechanics focusing on constitutive behavior of materials. He works in Prof. Veera Sundararaghavan’s research group\, and his PhD dissertation focuses on the multiscale modeling of vitrimers and semi-crystalline polymers. \nUnderstanding thermomechanical behavior of vitrimers using molecular dynamics simulations\nVitrimers are a special class of polymers that undergo dynamic cross-linking under thermal stimuli. Their ability to exchange covalent bonds can be harnessed to mitigate damage in a composite or to achieve recyclable composites. This work addresses the primary challenge of modeling dynamic cross-linking reactions in vitrimers during thermomechanical loading. Dynamic bond exchange reaction probability change during heating and its effect on dilatometric and mechanical response are simulated in large scale molecular dynamics (MD) simulations. Healing of damage under thermal cycling is computed with mechanical properties predicted before and after self–healing. \nSubsequently\, the model is used to simulate the creep response of the vitrimer. The results show that the vitrimers demonstrate a secondary creep response on contrary to pure epoxy. The MD simulations are able to probe the interplay between chemical reactions and the loading that results in the healing of the vitrimer under creep. The important feature that explains the difference between epoxies and vitrimers is the orientation of the crosslink bonds with respect to the loading direction. Furthermore\, it is found that the free volume that arises from tensile loads is reduced in vitrimers through dynamic bond rearrangement. The bond orientation\, however\, is preferentially chosen to be normal to the loading axis which ends up decreasing the stiffness along the loading axis\, leading to higher strain as compared to epoxies. Over longer timescales\, the increased strain leads to faster damage localization in tertiary creep where the largest void grows to a critical volume beyond which healing is no longer possible. Thus\, chemistry changes or additives that can prevent the initial realignment of dynamic bonds can be an effective strategy to mitigate creep in vitrimers. \n\n  \nThis event is part of MICDE’s seminar series featuring Ph.D. students in the Scientific Computing program. This series is open to all. University of Michigan faculty and students interested in computational and data sciences are encouraged to attend. \nQuestions? Email MICDE-events@umich.edu \n 
URL:https://micde.umich.edu/event/phd-seminar-gurmeet-singh-2/
LOCATION:Weiser Hall\, 6th Floor\, 619\, 500 Church Street\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Featured Events,MICDE PhD Seminar Series,Seminar
ATTACH;FMTTYPE=image/png:https://micde.umich.edu/wp-content/uploads/2023/02/2023-Winter-Singh.png
END:VEVENT
END:VCALENDAR