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"Graph-neural-network potential energy surface to speed up Monte Carlo ..."

Alfonso Gijón, Miguel Molina-Solana, Juan Gómez-Romero (2024)

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DOI: 10.1016/J.JOCS.2024.102383

access: closed

type: Journal Article

metadata version: 2024-08-09

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Alfonso Gijón, Miguel Molina-Solana, Juan Gómez-Romero:
Graph-neural-network potential energy surface to speed up Monte Carlo simulations of water cluster anions. J. Comput. Sci. 81: 102383 (2024)

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