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Machine Learning, Molecular Dynamics and Excitons I

ORAL · VIR-G08 · ID: 3105161

Presentations

  • Symmetries in zero and finite center of mass momenta excitons

    ORAL

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    Presenters

    • Robin Bajaj

      Indian Institute of Science, Indian Institute Of Science

    Authors

    • 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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  • Ab-inito study of biexcitons using exciton product basis.

    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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  • THEORETICAL STUDY OF SPIN DEFECTS WITH AN HUBBARD MODEL COMBINED WITH DENSITY FUNCTIONAL THEORY CALCULATIONS

    ORAL

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

    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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  • Application of biquaternionic signal processing to non-destructive testing of (3+1)D with hysteresis effects

    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).<br>Furui, S. : On the Quadratic Phase Quaternion Domain Fourier Transform and on the Clifford algebra of $R^{3,1}$, arXiv:2310.10680 v4 (2023).<br>Furui,S. and Dos Santos,S.: A Memosducer Based biquaternionic Signal Processing for Nonlinear Ultrasonics Imaging<br>Applied to Nondestructive Testing, UCCF-JS 2024, Taipei, 22-26 September (2024)..<br>Dos Santos and Furui,S.: Quaternion Signal Processing for Nonlinear Ultrasonics, BEC 2024; Tallinn, Estonia, 2-6 October (2024).<br>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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  • Exploring pressure-dependent kinetics of phase transitions in Si and Ge using machine learning interatomic potentials

    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.<br><br>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.<br><br>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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