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Journal of Chemical Theory and Computation|November 18, 2015
Automated parametrization of the coarse-grained Martini force field for small organic moleculesTristan Bereau, Kurt KremerThe Journal of Chemical Physics|June 25, 2009
Generic coarse-grained model for protein folding and aggregationTristan Bereau, Markus DesernoThe Journal of Physical Chemistry. B|October 30, 2025
Fokker-Planck Score Learning: Efficient Free-Energy Estimation under Periodic Boundary ConditionsDaniel Nagel, Tristan BereauThe Journal of Chemical Physics|June 6, 2018
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation modelsJoseph F Rudzinski, Tristan BereauPhysical Review Letters|January 5, 2019
Accurate Structure-Based Coarse Graining Leads to Consistent Barrier-Crossing DynamicsTristan Bereau, Joseph F RudzinskiThe Journal of Chemical Physics|November 3, 2019
Resolution limit of data-driven coarse-grained models spanning chemical spaceKiran H Kanekal, Tristan BereauChemical Science|August 11, 2025
Navigating chemical space: multi-level Bayesian optimization with hierarchical coarse-grainingLuis J Walter, Tristan BereauThe Journal of Chemical Physics|December 9, 2020
Coarse-grained conformational surface hopping: Methodology and transferabilityJoseph F Rudzinski, Tristan BereauThe Journal of Chemical Physics|March 25, 2025
Solvation free energies from neural thermodynamic integrationBálint Máté, François Fleuret, Tristan BereauThe Journal of Physical Chemistry Letters|November 6, 2024
Neural Thermodynamic Integration: Free Energies from Energy-Based Diffusion ModelsBálint Máté, François Fleuret, Tristan BereauPageof 7