AI-driven Generative and Inverse Materials Design and Discovery

FOCUS · MAR-B42 · ID: 4001161

Presentations

  • ORAL · Invited

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    Publication: Weiluo Ren, Weizhong Fu, Xiaojie Wu, Ji Chen, Towards the ground state of molecules via diffusion Monte Carlo on neural networks, Nat Commun 14, 1860 (2023).
    Du Jiang et al., Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation, arXiv 2508.02570 (2025).
    Weizhong Fu et al., Local Pseudopotential Unlocks the True Potential of Neural Network-based Quantum Monte Carlo, arXiv 2505.19909 (2025).
    Mouyang Cheng et al., Predicting Macroscopic Properties of Amorphous Monolayer Carbon via Pair Correlation Function, Chinese Phys. Lett. 42, 066101 (2025).

    Presenters

    • Ji Chen

      • Peking Univ
      • Peking University

    Authors

    • Ji Chen

      • Peking Univ
      • Peking University

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  • ORAL · Invited

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    Publication: arXiv:2510.07373

    Presenters

    • Omri Lesser

      • Cornell University

    Authors

    • Omri Lesser

      • Cornell University

    • YANJUN LIU

      • Cornell University

    • Natalie Maus

      • University of Pennsylvania

    • Aaditya Panigrahi

      • Cornell University

    • Krishnanand M Mallayya

      • Cornell University

    • Leslie M Schoop

      • Princeton University

    • Jacob R Gardner

      • University of Pennsylvania

    • Eun-Ah Kim

      • Cornell University

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  • ORAL

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    Publication: [1] Mohammad Alghadeer, et al. "Machine Learning Prediction of Materials Properties from Chemical Composition: Status and Prospects." Chemical Physics Reviews, 5(4), 041313 (2024).

    [2] Yousef A. Alghofaili, et al. "Accelerating Materials Discovery through Machine Learning: Predicting Crystallographic Symmetry Groups." Journal of Physical Chemistry C, 127(33), 16645–16653 (2023).

    [3] Abdulmohsen Alsaui, et al. "Highly Accurate Machine Learning Prediction of Crystal Point Groups for Ternary Materials from Chemical Formula." Scientific Reports, 12(1) (2022).

    Presenters

    • Nufida D Aisyah

      • Physics Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

    Authors

    • Nufida D Aisyah

      • Physics Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

    • Fahhad H Alharbi

      • Physics Department; Electrical Engineering Department; IRC for Advanced Quantum Computing, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

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  • ORAL

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    Publication: https://doi.org/10.1186/s13321-025-01104-2

    Presenters

    • Jiri Hostas

      • National Research Council Canada

    Authors

    • Jiri Hostas

      • National Research Council Canada

    • Hang Hu

      • National Research Council Canada

    • Mohammad Sajjad Ghaemi

      • National Research Council Canada
      • National Research Council

    • Junan Lin

      • National Research Council Canada
      • University of Waterloo

    • Anguang Hu

      • Defence Research and Development Canada
      • Suffield Research Centre, DRDC

    • Hsu Kiang (James) Ooi

      • National Research Council Canada

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  • ORAL

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    Publication: https://doi.org/10.21203/rs.3.rs-7540516/v1

    Presenters

    • Junan Lin

      • National Research Council Canada
      • University of Waterloo

    Authors

    • Junan Lin

      • National Research Council Canada
      • University of Waterloo

    • Jiri Hostas

      • National Research Council Canada

    • Anguang Hu

      • Defence Research and Development Canada
      • Suffield Research Centre, DRDC

    • Hang Hu

      • National Research Council Canada

    • Hsu Kiang (James) Ooi

      • National Research Council Canada

    • Mohammad Sajjad Ghaemi

      • National Research Council Canada
      • National Research Council

    View abstract →