"Best of both worlds: Enforcing detailed balance in machine learning models ..."

Anjana Anu Talapatra et al. (2025)

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DOI: 10.1016/J.CPC.2025.109752

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type: Journal Article

metadata version: 2025-09-06

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Anjana Anu Talapatra, Anup Pandey, Matthew S. Wilson, Ying Wai Li, Ghanshyam Pilania, Blas Pedro Uberuaga, Danny Perez:
Best of both worlds: Enforcing detailed balance in machine learning models of transition rates. Comput. Phys. Commun. 316: 109752 (2025)

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