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 T00: Poster Session III (1pm-4pm PST)
1:00 PM,
Thursday, March 9, 2023
Room: Exhibit Hall (Forum Ballroom)
Sponsoring
Unit:
APS
Abstract: T00.00331 : Characterizing Termination-Dependent TiS2/H2O Interfaces using Deep-Neural-Network-Assisted Molecular Dynamics*
Presenter:
Marcos Calegari Andrade
(Lawrence Livermore National Lab)
Authors:
Marcos Calegari Andrade
(Lawrence Livermore National Lab)
Lesheng Li
(Princeton University)
Roberto Car
(Princeton University)
Annabella Selloni
(Princeton University)
Emily A Carter
(Princeton University)
*This work was conducted within the Computational Chemical Science Center: Chemistry in Solution and at Interfaces at Princeton University, supported as part of the Computational Chemical Sciences Program funded by the U.S. Department of Energy (DoE), Office of Science, Basic Energy Sciences, under Award No. DE-SC0019394. This research used resources of the National Energy Research Scientific Computing Center, a DOS office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We also acknowledge the use of TIGRESS High Performance Computer Center at Princeton University.
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