Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf

2 Publikationen

Physics-Informed Neural Networks for Quantum Dynamics of Electrons

Shah, K.; Cangi, A.

Abstract

We demonstrate the utility of Physics Informed Neural Network based solvers for the solution of Time-Dependent Schrödinger Equation. We study the performance and generalisability of PINN solvers on a simple quantum system. The method developed here can be potentially extended as a surrogate model for the Time-Dependent Density Functional Theory workflow, enabling the simulation of large-scale calculations of electron dynamics in matter exposed to strong electromagnetic fields, high temperatures and pressures.

  • Poster
    Helmholtz AI Conference, 02.06.2022, Dresden, Germany
  • Vortrag (Konferenzbeitrag)
    Multiscale Modeling of Matter under Extreme Conditions, 15.09.2022, Görlitz, Germany

Permalink: https://www.hzdr.de/publications/Publ-35350