Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Q46: Emerging Trends in Molecular Dynamics Simulations and Machine Learning II
3:00 PM–5:48 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-470A
Sponsoring
Units:
DCOMP GDS DSOFT DPOLY
Chair: Thomas Linker, University of Southern California
Abstract: Q46.00008 : Graph Neural Network with Inductive Bias for Robust Molecular Dynamics
5:12 PM–5:24 PM
Presenter:
Pankaj Rajak
(University of Southern California)
Authors:
Pankaj Rajak
(University of Southern California)
Aravind Krishnamoorthy
(Univ of Southern California)
Rajiv K Kalia
(Univ of Southern California)
Aiichiro Nakano
(Univ of Southern California)
Priya Vashishta
(Univ of Southern California)
Ekin D Cubuk
(Google LLC)
Acknowledgement
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-SC001460. Simulations were performed at the Center for Advanced Research Computing of the University of Southern California.
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