Solvation free energies from neural thermodynamic integration
ContributorsMate, Balint
; Fleuret, François Jean
; Bereau, Tristan
Published inThe Journal of chemical physics, vol. 162, no. 12, 124107
Publication date2025-03-28
First online date2025-03-25
Abstract
Affiliation entities
Funding
- Swiss National Science Foundation - Robust Deep Density Models for High-Energy Particle Physics and Solar Flare Analysis (RODEM) [193716]
- Deutsche Forschungsgemeinschaft - STRUCTURES: A unifying approach to emergent phenomena in the physical world, mathematics, and complex data [390900948]
Citation (ISO format)
MATE, Balint, FLEURET, François Jean, BEREAU, Tristan. Solvation free energies from neural thermodynamic integration. In: The Journal of chemical physics, 2025, vol. 162, n° 12, p. 124107. doi: 10.1063/5.0251736
Main files (1)
Article (Published version)
Identifiers
- PID : unige:192761
- DOI : 10.1063/5.0251736
- PMID : 40130791
Additional URL for this publicationhttps://pubs.aip.org/jcp/article/162/12/124107/3340485/Solvation-free-energies-from-neural-thermodynamic
Journal ISSN0021-9606
