Data Science, AI and Machine Learning in Physics I

FOCUS · S18 · ID: 2155862

Presentations

  • Towards Open Science in Materials Synthesis and Characterization: Experiences from the 2DCC

    ORAL

    –

    Presenters

    • Anthony R Richardella

      Pennsylvania State University

    Authors

    • Anthony R Richardella

      Pennsylvania State University

    • Konrad Hilse

      Pennsylvania State University

    • Kevin Dressler

      Pennsylvania State University

    • Wesley F Reinhart

      Pennsylvania State University, Penn State

    • Joan M Redwing

      Pennsylvania State University

    • Nitin Samarth

      Pennsylvania State University

    • Vincent H Crespi

      Pennsylvania State University

    View abstract →

  • Machine Learning Discovery of a New Descriptor for Topological Semimetal

    ORAL

    –

    Presenters

    • YANJUN LIU

      Cornell University

    Authors

    • YANJUN LIU

      Cornell University

    • Krishnanand M Mallayya

      Cornell University

    • Milena Jovanovic

      Princeton University

    • Wesley J Maddox

      Jump Trading LLC

    • Andrew G Wilson

      New York University

    • Sebastian Klemenz

      Fraunhofer IWKS

    • Leslie M Schoop

      Princeton University

    • Eun-Ah Kim

      Cornell University

    View abstract →

  • A data-driven framework for non-stationary complex systems: Blending generalized Langevin and neural ordinary-differential equations.

    ORAL

    –

    Publication: Manuscript submitted to Chaos journal focus issue: Data-Driven Models and Analysis of Complex Systems.

    Presenters

    • Antonio Malpica-Morales

      Imperial College London

    Authors

    • Antonio Malpica-Morales

      Imperial College London

    • Serafim Kalliadasis

      Imperial College London

    • Miguel A Duran-Olivencia

      Imperial College London

    View abstract →

  • Machine Learning for Adsorption Processes

    ORAL · Invited

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    Publication: Y.Z.S. Sun, R.F. DeJaco, and J.I. Siepmann, 'Deep neural network learning of complex binary sorption equilibria from molecular simulation data,' Chem. Sci. 10, 4377–4388 (2019).
    K. Shi, Z. Li, D.M. Anstine, D. Tang, C.M. Colina, D.S. Sholl, J.I. Siepmann, and R.Q. Snurr, 'Two-dimensional energy histograms as features for machine learning to predict adsorption in diverse nanoporous materials,' J. Chem. Theory Comput. 23, 4568–4583 (2023).

    Presenters

    • J. Ilja Siepmann

      University of Minnesota

    Authors

    • J. Ilja Siepmann

      University of Minnesota

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  • Optimization of physical quantities in the autoencoder latent space

    ORAL

    –

    Publication: Park, S.M., Yoon, H.G., Lee, D.B. et al. Optimization of physical quantities in the autoencoder latent space. Sci Rep 12, 9003 (2022). https://doi.org/10.1038/s41598-022-13007-5

    Presenters

    • Seong Min Park

      Kyung Hee University, KyungHee University

    Authors

    • Seong Min Park

      Kyung Hee University, KyungHee University

    • Changyeon Won

      Kyung Hee University, KyungHee University

    • Han Gyu Yoon

      Kyung Hee university, KyungHee University, Kyung Hee University

    • Doo Bong Lee

      Kyung Hee University, KyungHee University

    • Jun Woo Choi

      Korea Institute of Science and Technology, Korea Institute of science and technology, KIST

    • Hee Young Kwon

      Korea Institute of Science and Technology, Korea Institute of science and technology

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  • Crystal structure generative modeling based on diffusion probabilistic models and variational autoencoder

    ORAL

    –

    Publication: Teerachote Pakornchote, Natthaphon Choomphon-anomakhun, Sorrjit Arrerut, Chayanon Atthapak, Sakarn Khamkaeo, Thiparat Chotibut, and Thiti Bovornratanaraks, "Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling", arXiv:2308.02165.

    Presenters

    • Teerachote Pakornchote

      Chulalongkorn University

    Authors

    • Teerachote Pakornchote

      Chulalongkorn University

    • Natthaphon Choomphon-anomakhun

      Chulalongkorn University

    • Sorrjit Arrerut

      Chulalongkorn University

    • Chayanon Atthapak

      Chulalongkorn University

    • Sakarn Khamkaeo

      Chulalongkorn University

    • Thiparat Chotibut

      Chulalongkorn University

    • Thiti Bovornratanaraks

      Chulalongkorn University

    View abstract →