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 N60: Emerging Trends in Molecular Dynamics Simulations and Machine Learning IV
11:30 AM–12:54 PM,
Wednesday, March 8, 2023
Room: Room 419
Sponsoring
Units:
DCOMP DSOFT GDS DPOLY
Chair: Cheng Chin, University of Chicago
Abstract: N60.00002 : Benchmarking machine-learned interatomic potential methods for reactive molecular dynamics at metal surfaces*
12:06 PM–12:18 PM
Presenter:
Wojciech G Stark
(University of Warwick)
Authors:
Wojciech G Stark
(University of Warwick)
Julia Westermayr
(University of Warwick)
Cas van der Oord
(University of Cambridge)
Gabor Csanyi
(University of Cambridge)
Reinhard J Maurer
(University of Warwick)
Collaboration:
Maurer Group
*This work was financially supported by the Leverhulme Trust (No. RPG-2019-078).High performance computing resources were provided via the Scientific Computing Research Technology Platform of the University of Warwick, the EPSRC-funded Materials Chemistry Consortium for the ARCHER2 UK National Supercomputing Service (No. EP/R029431/1), and the EPSRC-funded HPC Midlands + computing center (No. EP/P020232/1).
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