Graph-neural-network potential energy surface to speed up Monte Carlo simulations of water cluster anions

  1. Gijón, A.
  2. Molina-Solana, M.
  3. Gómez-Romero, J.
Aldizkaria:
Journal of Computational Science

ISSN: 1877-7503

Argitalpen urtea: 2024

Alea: 81

Mota: Artikulua

DOI: 10.1016/J.JOCS.2024.102383 GOOGLE SCHOLAR
Datuen iturria: Scopus