Thermodynamic Interpolation: A Generative Approach to Molecular Thermodynamics and Kinetics
Journal article, 2025
Mathematical methods
Computer simulations
Kinetics
Free energy
Thermodynamics
Author
Selma Moqvist
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
University of Gothenburg
Weilong Chen
University of Gothenburg
Chalmers, Computer Science and Engineering (Chalmers)
Jacob Mathias Schreiner
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
University of Gothenburg
Feliks Nueske
Max Planck Society
Simon Olsson
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
University of Gothenburg
Journal of Chemical Theory and Computation
1549-9618 (ISSN) 1549-9626 (eISSN)
Vol. 21 5 2535-2545Subject Categories (SSIF 2025)
Condensed Matter Physics
DOI
10.1021/acs.jctc.4c01557
PubMed
39988824