AI materials design and discovery

Presentations

• Simulating structural phase transitions with simple models

  ORAL · Invited

  March 7, 2024, 4:00 PM – March 7, 2024, 4:36 PM

  Presenters

  • Julia Dshemuchadse

    Cornell University

  Authors

  • Julia Dshemuchadse

    Cornell University

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• Abstract Withdrawn

  ORAL Withdrawn

  March 7, 2024, 4:36 PM – March 7, 2024, 4:48 PM

  View abstract →

• Natural Language Processing for Material Properties Prediction

  ORAL

  March 7, 2024, 4:48 PM – March 7, 2024, 5:00 PM

  Presenters

  • Nhat Huy M Tran

    University of Florida

  Authors

  • Nhat Huy M Tran

    University of Florida

  • Momei Fang

    University of California San Diego

  • Fangze Liu

    Stanford University

  • Zhantao Chen

    SLAC National Laboratory

  • Chunjing Jia

    University of Florida

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• A Novel Graph Machine Learning Model for Structure-to-Property Prediction

  ORAL

  March 7, 2024, 5:00 PM – March 7, 2024, 5:12 PM

  Presenters

  • Yong Wei

    High Point University

  Authors

  • Yong Wei

    High Point University

  • Hanning Chen

    The University of Texas at Austin

  • Yinning Zhang

    Kennesaw State University

  • Jing He

    Kennesaw State University

  • Yuewei Lin

    Brookhaven National Lab

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• Thermodynamic speed limits as a design principle for dissipative materials

  ORAL · Invited

  March 7, 2024, 5:12 PM – March 7, 2024, 5:48 PM

  Presenters

  • Jason R Green

    University of Massachusetts Boston

  Authors

  • Jason R Green

    University of Massachusetts Boston

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• Artificial intelligence guided study of superconductors

  ORAL

  March 7, 2024, 5:48 PM – March 7, 2024, 6:00 PM

  Presenters

  • Trevor David Rhone

    Rensselaer Polytechnic Institute

  Authors

  • Trevor David Rhone

    Rensselaer Polytechnic Institute

  • Dylan Sheils

    Rensselaer Polytechnic Institute

  • Romakanta Bhattarai

    Rensselaer Polytechnic Institute

  • Yoshiharu Krockenberger

    NTT Basic Research Labs

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• Learning Crystal Structure from Powder X-Ray Diffraction Data Using Invariants

  ORAL

  March 7, 2024, 6:00 PM – March 7, 2024, 6:12 PM

  Presenters

  • Elyssa F Hofgard

    MIT

  Authors

  • Elyssa F Hofgard

    MIT

  • Tess E Smidt

    MIT

  • Aria M Tehrani

    MIT

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• Mapping the ICSD

  ORAL

  March 7, 2024, 6:12 PM – March 7, 2024, 6:24 PM

  Presenters

  • William Ratcliff

    NIST, University of Maryland, National Institute of Standards and Technology

  Authors

  • William Ratcliff

    NIST, University of Maryland, National Institute of Standards and Technology

  • Paul Kienzle

    NIST

  • Karen Cao

    NIST

  • Ichiro Takeuchi

    University of Maryland

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• Structure Complements: A New Materials Taxonomy

  ORAL

  March 7, 2024, 6:24 PM – March 7, 2024, 6:36 PM

  Publication: Structure Complements: A New Materials Taxonomy

  Presenters

  • Kyle D Miller

    Northwestern University

  Authors

  • Kyle D Miller

    Northwestern University

  • James M Rondinelli

    Northwestern University

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• TitleOral: Accelerating high-throughput screening of high thermal conductivity metal-organic frameworks with active learning

  ORAL

  March 7, 2024, 6:36 PM – March 7, 2024, 6:48 PM

  Publication: Islamov, M., Babaei, H., Anderson, R. et al. High-throughput screening of hypothetical metal-organic frameworks for thermal conductivity. npj Comput Mater 9, 11 (2023).
  Islamov, Meiirbek, Hasan Babaei, and Christopher E. Wilmer. "Influence of missing linker defects on the thermal conductivity of metal–organic framework HKUST-1." ACS Applied Materials & Interfaces 12.50 (2020): 56172-56177.

  Presenters

  • Hariharan Ramasubramanian

    Carnegie Mellon University

  Authors

  • Hariharan Ramasubramanian

    Carnegie Mellon University

  • Meiirbek Islamov

    University of Pittsburgh

  • Alan J McGaughey

    Carnegie Mellon Univ

  • Christopher E Wilmer

    University of Pittsburgh

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• Data-driven studies of magnetic van der Waals heterostructures

  ORAL

  March 7, 2024, 6:48 PM – March 7, 2024, 7:00 PM

  Presenters

  • Romakanta Bhattarai

    Rensselaer Polytechnic Institute

  Authors

  • Romakanta Bhattarai

    Rensselaer Polytechnic Institute

  • Peter Minch

    Rensselaer Polytechnic Institute

  • Trevor David Rhone

    Rensselaer Polytechnic Institute

  View abstract →