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.
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.
*This work was supported as part of the Computational Materials Sciences
Program funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award
Number DE-SC0014607.
Presenters
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Nitish Baradwaj
- Univ of Southern California