Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session A61: Understanding Amorphous Matter Through Modeling and Simulation
8:00 AM–10:48 AM,
Monday, March 6, 2023
Room: Room 418
Sponsoring
Unit:
DCOMP
Chair: Robert Riggleman, University of Pennsylvania
Abstract: A61.00008 : Size and quality of quantum mechanical data-set for training Neural Network Force Fields for liquid water*
9:48 AM–10:00 AM
Presenter:
Márcio S Gomes-Filho
(Universlty Federal do ABC)
Authors:
Márcio S Gomes-Filho
(Universlty Federal do ABC)
Alberto Torres
(Univ Estadual Paulista-UNESP)
Alexandre R Rocha
(Instituto de Fisica Teorica - UNESP)
Luana Pedroza
(Univ Federal do ABC)
*The authors acknowledge financial support from FAPESP (Grant # FAPESP 2017/10292-0, 2020/09011-9, 2017/02317-2 and 2016/01343-7). This work used the computational resources from the Centro Nacional de Processamento de Alto Desempenho em São Paulo (CENAPAD-SP) and GRID-UNESP.
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