Tristan Bereau

According to our database, Tristan Bereau authored at least 8 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.

Ganna Gryn'ova, Tristan Bereau, Carolin Müller, Pascal Friederich, Rebecca C. Wade, Ariane Nunes-Alves, Thereza A. Soares, Kenneth M. Merz Jr.

J. Chem. Inf. Model., 2024

Solvation Free Energies from Neural Thermodynamic Integration.

Bálint Máté, François Fleuret, Tristan Bereau

CoRR, 2024

Neural Thermodynamic Integration: Free Energies from Energy-based Diffusion Models.

Bálint Máté, François Fleuret, Tristan Bereau

CoRR, 2024

2020

Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders.

Yasemin Bozkurt Varolgunes, Tristan Bereau, Joseph F. Rudzinski

Mach. Learn. Sci. Technol., 2020

Adversarial reverse mapping of equilibrated condensed-phase molecular structures.

Marc Stieffenhofer, Michael Wand, Tristan Bereau

Mach. Learn. Sci. Technol., 2020

2018

The Role of Conformational Entropy in the Determination of Structural-Kinetic Relationships for Helix-Coil Transitions.

Joseph F. Rudzinski, Tristan Bereau

Comput., 2018

2013

Deriving Static Atomic Multipoles from the Electrostatic Potential.

Christian Kramer, Tristan Bereau, Alexander Spinn, Klaus R. Liedl, Peter Gedeck, Markus Meuwly

J. Chem. Inf. Model., 2013

2009

Optimized convergence for multiple histogram analysis.

Tristan Bereau, Robert H. Swendsen

J. Comput. Phys., 2009