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Neural Network Molecular Dynamics of SiSe<sub>2 </sub>

POSTER

Abstract

The structures of SixSe1-x, glasses with 0.0 < x < 0.40 have been investigated with neutron diffraction and Se K-edge extended X-ray absorption fine-structure measurements. Neural network MD (NNAIMD) is an emerging approach to study large-scale atomistic systems
with quantum mechanics accuracy. In this study, I will discuss the development of NNAIMD force
field to study SiSe2, along with simulation results on complex dynamics using it.

Presenters

  • Nitish Baradwaj

    Univ of Southern California

Authors

  • Nitish Baradwaj

    Univ of Southern California

  • Aravind Krishnamoorthy

    Collaboratory for Advanced Computing and Simulations, University of Southern California, Univ of Southern California

  • Ken-ichi Nomura

    Collaboratory for Advanced Computing and Simulations, University of Southern California, Univ of Southern California

  • Aiichiro Nakano

    Collaboratory for Advanced Computing and Simulations, University of Southern California, Univ of Southern California

  • Rajiv K Kalia

    Collaboratory for Advanced Computing and Simulations, University of Southern California, Univ of Southern California

  • Priya Vashishta

    Collaboratory for Advanced Computing and Simulations, University of Southern California, Univ of Southern California