Molecular Dynamics and Deep Learning for Materials Including TMDC & Oxide Moire Structures: II

Presentations

• Deep learning-based simulations in geophysics

  ORAL · Invited

  March 20, 2025, 11:30 AM – March 20, 2025, 12:06 PM

  Presenters

  • Renata Maria M Wentzcovitch

    • Columbia University

  Authors

  • Renata Maria M Wentzcovitch

    • Columbia University

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• Carbon Sequestration Reaction Using Magnesium Silicate – A Quantum Molecular Dynamics Study

  ORAL

  March 20, 2025, 12:06 PM – March 20, 2025, 12:18 PM

  Presenters

  • Nitish Baradwaj

    • University of Southern California

  Authors

  • Nitish Baradwaj

    • University of Southern California

  • Aiichiro Nakano

    • University of Southern California

  • Rajiv K Kalia

    • University of Southern California

  • Priya Vashishta

    • University of Southern California

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• Performance and Usage of the RPA based Functional

  ORAL

  March 20, 2025, 12:18 PM – March 20, 2025, 12:30 PM

  Presenters

  • Angel Rosado

    • Florida State University

  Authors

  • Angel Rosado

    • Florida State University

  • Mario D Benites

    • Florida State University

  • Efstratios Manousakis

    • Florida State University

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 20, 2025, 12:30 PM – March 20, 2025, 12:42 PM

  View abstract →

• Phononic and electronic transport in multilayer 2D materials via topologically protected and photo-excited states

  ORAL · Invited

  March 20, 2025, 12:42 PM – March 20, 2025, 1:18 PM

  Presenters

  • Kenji Tsuruta

    • Okayama University

  Authors

  • Kenji Tsuruta

    • Okayama University

  • Masaaki Misawa

    • Fukuoka Institute of Technology

  • Satoshi Ohmura

    • Hiroshima Institute of Technology

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• Elucidating the thermal degradation of silane-based polymers using reactive molecular dynamics simulations

  ORAL

  March 20, 2025, 1:18 PM – March 20, 2025, 1:30 PM

  Presenters

  • Nabankur Dasgupta

    • University of Southern California

  Authors

  • Priya Vashishta

    • University of Southern California

  • Rajiv K Kalia

    • University of Southern California

  • Aiichiro Nakano

    • University of Southern California

  • Ken-ichi Nomura

    • University of Southern California

  • Nabankur Dasgupta

    • University of Southern California

  • Logan Yamamoto

    • University of Southern California

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• Relativistic magnetic interactions from nonorthogonal basis sets

  ORAL

  March 20, 2025, 1:30 PM – March 20, 2025, 1:42 PM

  Publication: Phys. Rev. B 108, 214418 – Published 18 December 2023

  Presenters

  • László Oroszlany

    • Eötvös University Budapest

  Authors

  • Gabriel Martínez-Carracedo

    • Universidad de Oviedo
    • Departamento de Física, Universidad de Oviedo, 33007 Oviedo, Spain

  • László Oroszlany

    • Eötvös University Budapest

  • Amador García-Fuente

    • Universidad de Oviedo

  • Bendegúz Nyári

    • Budapest University of Technology and Economics
    • HUN-REN-BME Condensed Matter Physics Research Group

  • Laszlo Udvardi

    • Budapest University of Technology and Economics

  • Laszlo Szunyogh

    • Budapest University of Technology and Economics

  • Jaime Ferrer

    • University of Oviedo, Oviedo

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• Accurate atomic aorrelation and total energies for heavy element correlation consistent effective core potentials

  ORAL

  March 20, 2025, 1:42 PM – March 20, 2025, 1:54 PM

  Publication: A paper summarizing these results is planned.

  Presenters

  • Aqsa Shaikh

    • North Carolina State University

  Authors

  • Benjamin Edward Kincaid

    • North Carolina State University

  • Aqsa Shaikh

    • North Carolina State University

  • Omar Madany

    • North Carolina State University

  • Lubos Mitas

    • North Carolina State University

  View abstract →