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DTSTART;TZID=America/Detroit:20260818T120000
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SUMMARY:Ph.D. in Scientific Computing Student Seminar
DESCRIPTION:The MICDE PhD Student Seminar Series showcases the research of students in the Ph.D. in Scientific Computing. Lunch will be served. These events are open to the public\, but we request that all who plan to attend register in advance. Planned sessions will be canceled if no one signs up to present\, and registered attendees will be notified. \nIf you have any questions\, please email micde-phd@umich.edu. \nRegister to attend \nAccelerating Molecular Simulations with Multilayer Machine-Learned Interatomic Potentials\nMachine-learned interatomic potentials (ML-IAPs) enable near-quantum-accurate molecular simulations at significantly lower computational cost than first-principles methods. However\, accurately modeling covalently bonded systems requires resolving both highly featured short-range interactions and smoother long-range interactions\, creating a trade-off between model complexity and computational efficiency. We address this challenge with a multilayer representation that decomposes the potential energy surface into separate short-range and long-range models\, implemented within the ChIMES ML-IAP framework. Evaluated on propane\, water\, and reactive C/O systems spanning diverse thermodynamic conditions\, the multilayer approach matches the accuracy of conventional single-layer models while reducing computational cost by more than an order of magnitude. A hyperparameter sensitivity analysis further provides practical guidelines for model design. These results establish multilayer ChIMES as a general framework for substantially improving ML-IAP efficiency without compromising predictive accuracy. \nAwwal Oladipupo (Chemical Engineering and Scientific Computing)\nAwwal Oladipupo is a Ph.D. candidate in Chemical Engineering and Scientific Computing at the University of Michigan. His research focuses on developing machine learning-enabled atomistic simulation methods\, multiscale modeling frameworks\, and scientific software to accelerate the discovery and design of materials for energy\, environmental\, and chemical applications\, with an emphasis on improving the accuracy\, scalability\, and computational efficiency of molecular simulations.
URL:https://micde.umich.edu/event/ph-d-in-scientific-computing-student-seminar-4/
LOCATION:Room 4425\, Green Court Building
CATEGORIES:Aerospace Engineering,Chemical Engineering,Chemistry,Civil and Environmental Engineering,College Of Engineering,Computation,Computational Medicine,Computational Modeling,Computational Science,Computational Social Science,Data Science,Engineering,Free,Graduate,Graduate and Professional Students,Graduate School,Graduate Students,Health Behavior & Health Equity,In Person,Interdisciplinary,Machine Learning,Materials Science,Micde,Phd Seminar,Political Science,Prospective Graduate Students,Public Health,Research,Science,Scientific Computing,Sessions
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DTSTART;TZID=America/Detroit:20261002T150000
DTEND;TZID=America/Detroit:20261002T160000
DTSTAMP:20260817T165002Z
CREATED:20260817T165002Z
LAST-MODIFIED:20260817T165002Z
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SUMMARY:MICDE - AIM Joint Seminar: Mitchell Luskin\, University of Minnesota
DESCRIPTION:Bio: Mitchell Luskin is a Mathematics professor at the University of Minnesota’s School of Mathematics. He develops mathematical models and computational methods with applications to physics and mechanics. His current research focuses on quantum materials\, machine learning\, and data-enabled modeling. \nLuskin’s early work proposed and analyzed finite-difference and finite-element methods for fluid dynamics\, normal modes of the oceans\, neutron transport\, and viscoelasticity. Later work developed methods for liquid crystal defects and for materials with microstructure. More recent work formulated atomistic-to-continuum coupling and accelerated molecular dynamics methods \n  \nResearch Interests: \n\nNumerical analysis\nScientific computing\nApplied mathematics\nComputational physics\n\n\nTitle and abstract will be published soon. \n  \n\nThe MICDE 2025-26 Seminar Series is open to all. \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/mitchell-luskin-uminnesota/
LOCATION:1084 East Hall\, 530 Church St.\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:College Of Engineering,Computational Science,Featured Events,Graduate Students,Mathematics,Mechanical Engineering,Micde,Micde Seminar,MICDE Seminar Series,Michigan Engineering,Seminar
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DTSTART;TZID=America/Detroit:20261015T160000
DTEND;TZID=America/Detroit:20261015T170000
DTSTAMP:20260817T171022Z
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SUMMARY:MICDE - Chemistry Joint Seminar: Shaama Sharada\, University of Southern California
DESCRIPTION:Bio: Shaama Sharada is the Chester Dolley Early Career Chair and Associate Professor of Chemical Engineering and Materials Science and Chemistry at USC Viterbi School of Engineering. She earned her undergraduate degree in Chemical Engineering from the Indian Institute of Technology\, Bombay\, and her PhD from the University of California\, Berkeley\, where she also served as a software developer for Q-Chem\, a quantum chemistry package. She was a postdoctoral researcher at Stanford University prior to joining USC in Fall 2017. \nHer research focuses on developing catalysts and photocatalysts to meet energy-efficiency and sustainability goals. Her group utilizes quantum chemistry to find active\, selective\, and stable catalytic materials for efficient valorization of CH bonds and green conversion of anthropogenic carbon dioxide. Shaama is also keen on making quantum chemical predictions more reliable. She is developing algorithms inspired by signal processing to make otherwise prohibitive but accurate kinetics theories more tractable for routine studies. \nTitle and abstract will be published soon. \n  \n\nThe MICDE 2025-26 Seminar Series is open to all. \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/shaama-sharada-usc/
LOCATION:CHEM 1640\, 930 N University\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Chemical Engineering,Chemistry,College Of Engineering,Computational Science,Featured Events,Graduate Students,Materials Science,Micde,Micde Seminar,MICDE Seminar Series,Michigan Engineering,Seminar
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DTSTART;TZID=America/Detroit:20261119T133000
DTEND;TZID=America/Detroit:20261119T143000
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SUMMARY:MICDE - Chemical Engineering Joint Seminar: Mark Tuckerman\, New York University
DESCRIPTION:Bio: Mark Tuckerman is a professor of chemistry and mathematics at New York University\, with appointments in NYU’s Department of Chemistry and the Courant Institute of Mathematical Sciences. He is a theoretical and computational chemist. His research focuses on molecular dynamics\, statistical mechanics\, enhanced-sampling methods\, and simulations of complex chemical and materials systems. He earned his Ph.D. from Columbia University and is widely recognized for developing computational techniques used in molecular simulation. \nTitle and abstract will be published soon. \n  \n\nThe MICDE 2025-26 Seminar Series is open to all. \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-tuckerman-nyu/
LOCATION:NCRC B10 / B32 Research Auditorium\, 2800 Plymouth Rd\, Ann Arbor\, MI\, 48109\, United States
CATEGORIES:Chemical Engineering,Chemistry,College Of Engineering,Computational Science,Featured Events,Graduate Students,Mathematics,Micde,Micde Seminar,MICDE Seminar Series,Michigan Engineering,Seminar
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