Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session K62: Emerging Trends in Molecular Dynamics Simulations and Machine Learning III
3:00 PM–6:00 PM,
Tuesday, March 7, 2023
Room: Room 417
Sponsoring
Unit:
DCOMP
Chair: Ken-ichi Nomura, University of Southern California
Abstract: K62.00006 : Structure and Dielectric Properties of Water and Aqueous Solutions Using Neural Network Quantum Molecular Dynamics*
4:24 PM–4:36 PM
Presenter:
RURU MA
(University of Southern California)
Authors:
RURU MA
(University of Southern California)
Aravind Krishnamurthy
(University of Southern California)
Nitish Baradwaj
(University of Southern California)
Ken-ichi Nomura
(University of Southern California)
Kohei Shimamura
(Kumamoto University)
Pankaj Rajak
(University of Southern California)
Fuyuki Shimojo
(Kumamoto Univ)
Aiichiro Nakano
(University of Southern California)
Rajiv K Kalia
(Univ of Southern California)
Priya Vashishta
(University of Southern California)
*Acknowledgments: 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. The simulations were performed at the Argonne Leadership Computing Facility under the DOE INCITE and Aurora Early Science programs and at the Centre for Advanced Research and Computing of the University of Southern California.
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