Machine Learning for Materials Science II

Presentations

• Representation learning for data-driven analysis of soft matter simulations

  ORAL · Invited

  March 5, 2024, 11:30 AM – March 5, 2024, 12:06 PM

  Presenters

  • Wesley F Reinhart

    • Pennsylvania State University
    • Penn State

  Authors

  • Wesley F Reinhart

    • Pennsylvania State University
    • Penn State

  View abstract →

• Exploiting invariant manifolds for optimal control in active hydrodynamic systems

  ORAL · Invited

  March 5, 2024, 12:06 PM – March 5, 2024, 12:42 PM

  Publication: 1. Exploring regular and turbulent flow states in active nematic channel flow via Exact Coherent Structures and their invariant manifolds
  arXiv:2305.00939
  2. Exact coherent structures and phase space geometry of preturbulent 2D active nematic channel flow, Phys. Rev. Lett. 128, 028003, 2022

  Presenters

  • Piyush Grover

    • University of Nebraska - Lincoln

  Authors

  • Piyush Grover

    • University of Nebraska - Lincoln

  • Michael Norton

    • Brandeis.edu
    • Brandeis University

  • Caleb Wagner

    • University of Nebraska - Lincoln

  • Rumayel H Pallock

    • University of Nebraska - Lincoln

  • Jae Sung Park

    • University of Nebraska-Lincoln

  View abstract →

• Leveraging multi-task model for improving mechanical property predictions of high entropy alloys (HEAs)

  ORAL

  March 5, 2024, 12:42 PM – March 5, 2024, 12:54 PM

  Presenters

  • Arindam Debnath

    • Pennsylvania State University

  Authors

  • Arindam Debnath

    • Pennsylvania State University

  • Wesley F Reinhart

    • Pennsylvania State University
    • Penn State

  View abstract →

• INTERSECT: The Interconnected Science Ecosystem

  ORAL

  March 5, 2024, 12:54 PM – March 5, 2024, 1:06 PM

  Presenters

  • Robert G Moore

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  Authors

  • Robert G Moore

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

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• Performance-Portable Implementation of SISSO++ and its Application in Materials’ Mobility Prediction

  ORAL

  March 5, 2024, 1:06 PM – March 5, 2024, 1:18 PM

  Presenters

  • Yi Yao

    • The NOMAD Laboratory at the FHI-MPG and IRIS-Adlershof of HU, Berlin, Germany

  Authors

  • Yi Yao

    • The NOMAD Laboratory at the FHI-MPG and IRIS-Adlershof of HU, Berlin, Germany

  • Sebastian Eibl

    • Max Planck Computing and Data Facility (MPCDF), Garching bei Munchen, Germany

  • Markus Rampp

    • Max Planck Computing and Data Facility (MPCDF), Garching bei Munchen, Germany
    • Max Planck Computing and Data Facility (MPCDF), Garching bei München, Germany

  • Luca M Ghiringhelli

    • The NOMAD Laboratory at the FHI-MPG and IRIS-Adlershof of HU, Berlin, Germany

  • Thomas A Purcell

    • The NOMAD Laboratory at the FHI of the MPG
    • The University of Arizona

  • Matthias Scheffler

    • The NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the Humboldt-Universität zu Berlin
    • The NOMAD Laboratory at the Fritz Haber Institute of the MPG
    • The NOMAD Laboratory at the FHI of the Max Planck Society

  View abstract →

• Bridge the gap between industrial data and Large Language Model (LLM) by mimicking the brain hemispheres function and thought process of an industrial data scientist

  ORAL

  March 5, 2024, 1:18 PM – March 5, 2024, 1:30 PM

  Presenters

  • Jian Yang

    • Westlake Corp.

  Authors

  • Jian Yang

    • Westlake Corp.

  • Michael Dessauer

    • Westlake Corp.

  • Gregory Parkison

    • Westlake Corp.

  • Constantyn Chalitsios

    • Westlake Corp.

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• Understanding attention in the mean-field

  ORAL

  March 5, 2024, 1:30 PM – March 5, 2024, 1:42 PM

  Presenters

  • Aditya Cowsik

    • Stanford University

  Authors

  • Aditya Cowsik

    • Stanford University

  • Surya Ganguli

    • Stanford University

  • Tamra Nebabu

    • Stanford University

  • Xiao-Liang Qi

    • Stanford University

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• Implementation of an Optimally Windowed Chirp method for Industrial Rheological Measurements

  ORAL

  March 5, 2024, 1:42 PM – March 5, 2024, 1:54 PM

  Presenters

  • Alessandro Perego

    • 3M

  Authors

  • Alessandro Perego

    • 3M

  • Damien Vadillo

    • 3M

  • Alex Bourque

    • 3M

  • Matthew J Mills

    • 3M

  • Grace Kemer

    • 3M

  • Aaron Hedegaard

    • 3M

  • Mitch Rock

    • 3M

  • Ross Behling

    • 3M

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• Crystal Hypergraph Convolutional Networks

  ORAL

  March 5, 2024, 1:54 PM – March 5, 2024, 2:06 PM

  Presenters

  • Alexander J Heilman

    • Northeastern University

  Authors

  • Alexander J Heilman

    • Northeastern University

  • Weiyi Gong

    • Northeastern University

  • Qimin Yan

    • Northeastern University

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• Physics-Informed Machine Learning for Addressing Challenges in Static and Time-Dependent Density Functional Theory

  ORAL

  March 5, 2024, 2:06 PM – March 5, 2024, 2:18 PM

  Presenters

  • Karan Shah

    • Helmholtz Zentrum Dresden Rossendorf

  Authors

  • Karan Shah

    • Helmholtz Zentrum Dresden Rossendorf

  • Attila Cangi

    • Helmholtz Zentrum Dresden-Rossendorf

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• Equivariant symmetry breaking

  ORAL

  March 5, 2024, 2:18 PM – March 5, 2024, 2:30 PM

  Publication: Planned paper (Equivariant symmetry breaking)

  Presenters

  • YuQing Xie

    • Massachusetts Institute of Technology

  Authors

  • YuQing Xie

    • Massachusetts Institute of Technology

  • Tess E Smidt

    • MIT

  View abstract →