Machine Learning for Materials Science II

Presentations

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

  ORAL · Invited

  March 5, 2024, 12:30 PM – March 5, 2024, 1:06 PM

  Presenters

  • Wesley F Reinhart

    Pennsylvania State University, Penn State

  Authors

  • Wesley F Reinhart

    Pennsylvania State University, Penn State

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• Exploiting invariant manifolds for optimal control in active hydrodynamic systems

  ORAL · Invited

  March 5, 2024, 1:06 PM – March 5, 2024, 1:42 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

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

  ORAL

  March 5, 2024, 1:42 PM – March 5, 2024, 1:54 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, 1:54 PM – March 5, 2024, 2:06 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, 2:06 PM – March 5, 2024, 2:18 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

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• 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, 2:18 PM – March 5, 2024, 2:30 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, 2:30 PM – March 5, 2024, 2:42 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, 2:42 PM – March 5, 2024, 2:54 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, 2:54 PM – March 5, 2024, 3:06 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, 3:06 PM – March 5, 2024, 3:18 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, 3:18 PM – March 5, 2024, 3:30 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 →