Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization

Published
Publication ISC High Performance 2023: High Performance Computing
Authors
Ibayashi, H., T. M. Razakh, L. Yang, T. Linker, M. Olguin, S. Hattori, Y. Luo, R. K. Kalia, A. Nakano, K. Nomura, and P. Vashishta
Publication Date
Name of Publication Source
ISC High Performance 2023: High Performance Computing
Publisher
Springer Link
Page Numbers
223-239
DOI
10.1007/978-3-031-32041-5_12
Source Link
https://doi.org/10.1007/978-3-031-32041-5_12