Machine Learning, Molecular Dynamics and Excitons I

ORAL · VIR-G08 · ID: 3105161

Presentations

  • ORAL

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    Presenters

    • Namana Venkatareddy

      • Indian Institute Of Science

    Authors

    • Namana Venkatareddy

      • Indian Institute Of Science

    • Robin Bajaj

      • Indian Institute of Science
      • Indian Institute Of Science

    • Hulikal R Krishnamurthy

      • Indian Institute of Science Bangalore

    • Manish Jain

      • Indian Institute of Science Bangalore

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  • ORAL

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    Publication: Thermodynamical stability of carbon-based defects in α boron from first principles
    Y. Cho, J. Sjakste, O. Hardouin Duparc, N. Vast
    Solid State Sciences 154, 107610 (2024) https://doi.org/10.1016/j.solidstatesciences.2024.107610

    The effect of pressure on the intrinsic optical dynamics of NV- colored centers in diamond, Alan Custodio dos Reis Souza, Mariya Romanova, Michele Casula, Jelena Sjakste, and Nathalie Vast (in preparation).

    New theoretical method to design quasi-atomic systems in the band gap of semiconductors by combining density functional theory (DFT) and the Hubbard effective Hamiltonian (in preparation)
    Y. Cho, Alan Custodio dos Reis Souza, Mariya Romanova, J. Sjakste, Michele Casula, N. Vast

    Presenters

    • Nathalie Vast

      • CEA-Saclay

    Authors

    • Nathalie Vast

      • CEA-Saclay

    • Yeonsoo Cho

      • Ecole Polytechnique

    • Alan CUSTODIO DOS REIS SOUZA

      • LSi

    • Jelena Sjakste

      • CNRS - Laboratoire des Solides Irradies (LSI)

    • Michele Casula

      • CNRS

    • Mariya ROMANOVA

      • CEA Cadarache

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  • ORAL

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    Publication: 1. "Concurrency without guardrails, no-GIL Python and Fortran", Rohit Goswami, The International Journal of High Performance Computing Applications [to be submitted]

    Presenters

    • Rohit Goswami

      • University of Iceland

    Authors

    • Rohit Goswami

      • University of Iceland

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  • ORAL

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    Publication: Furui, S. and Dos Santos, S.: Application of Quaternion Neural Network to Time Reversal Based Nonlinear Elastic Wave Spectroscopy, INAE, 8, 183-199, (2023).
    Furui, S. : On the Quadratic Phase Quaternion Domain Fourier Transform and on the Clifford algebra of $R^{3,1}$, arXiv:2310.10680 v4 (2023).
    Furui,S. and Dos Santos,S.: A Memosducer Based biquaternionic Signal Processing for Nonlinear Ultrasonics Imaging
    Applied to Nondestructive Testing, UCCF-JS 2024, Taipei, 22-26 September (2024)..
    Dos Santos and Furui,S.: Quaternion Signal Processing for Nonlinear Ultrasonics, BEC 2024; Tallinn, Estonia, 2-6 October (2024).
    Furui, S. and Dos Santos, S.: Biquaternion Signal Processing for Nonlinear Ultrasonics, submitted to arXiv [hep-lat] submit/5950738, 24. October (2024)

    Presenters

    • Sadataka Furui

      • Teikyo University

    Authors

    • Sadataka Furui

      • Teikyo University

    • Serge Dos Santos

      • INSA val de Loire

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  • ORAL

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    Publication: A. Fantasia et al.; "Development of a machine learning interatomic potential for exploring pressure-dependent kinetics of phase transitions in germanium". J. Chem. Phys. 7 July 2024; 161 (1): 014110. https://doi.org/10.1063/5.0214588.

    F. Rovaris et al.; "Unraveling the Atomic-Scale Pathways Driving Pressure-Induced Phase Transitions in Silicon". arXiv:2408.12358 (2024). https://doi.org/10.48550/arXiv.2408.12358; submitted to Materials Today Nano.

    G. Ge, F. Rovaris et al.; "Silicon phase transitions in nanoindentation: Advanced molecular dynamics simulations with machine learning phase recognition". Acta Materialia, Vol. 263, 2024, 119465, ISSN 1359-6454. https://doi.org/10.1016/j.actamat.2023.119465.

    Presenters

    • Andrea Fantasia

      • University of Milan, Bicocca

    Authors

    • Andrea Fantasia

      • University of Milan, Bicocca

    • Fabrizio Rovaris

      • Dept. of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milano, Italy
      • University of Milano-Bicocca

    • Anna Marzegalli

      • Dept. of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milano, Italy
      • University of Milano-Bicocca
      • University of Milano Bicocca

    • Penghao Xiao

      • Dept. of Physics & Atmospheric Science, Dalhousie University, 1453 Lord Dalhousie Drive, B3H 4R2, Halifax, NS, Canada
      • Dalhousie University

    • Emilio Scalise

      • Dept. of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milano, Italy
      • University of Milan, Bicocca

    • Francesco Montalenti

      • Dept. of Materials Science, University of Milano-Bicocca, Via R. Cozzi 55, 20125, Milano, Italy
      • University of Milano Bicocca

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