AI materials design and discovery

Presentations

• Simulating structural phase transitions with simple models

  ORAL · Invited

  March 7, 2024, 3:00 PM – March 7, 2024, 3:36 PM

  Presenters

  • Julia Dshemuchadse

    • Cornell University

  Authors

  • Julia Dshemuchadse

    • Cornell University

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 7, 2024, 3:36 PM – March 7, 2024, 3:48 PM

  View abstract →

• Natural Language Processing for Material Properties Prediction

  ORAL

  March 7, 2024, 3:48 PM – March 7, 2024, 4:00 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, 4:00 PM – March 7, 2024, 4:12 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, 4:12 PM – March 7, 2024, 4:48 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, 4:48 PM – March 7, 2024, 5:00 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, 5:00 PM – March 7, 2024, 5:12 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, 5:12 PM – March 7, 2024, 5:24 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, 5:24 PM – March 7, 2024, 5:36 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, 5:36 PM – March 7, 2024, 5:48 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, 5:48 PM – March 7, 2024, 6:00 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 →