Tristan Bereau PRO

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updated a Space 2 days ago

Running

PhyStudiKI

🎓

published a Space 2 days ago

Running

PhyStudiKI

🎓

authored 8 papers about 2 months ago

Solvation Free Energies from Neural Thermodynamic Integration

Paper • 2410.15815 • Published Oct 21, 2024

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

Paper • 2406.02313 • Published Dec 3, 2024

Fokker-Planck Score Learning: Efficient Free-Energy Estimation under Periodic Boundary Conditions

Paper • 2506.15653 • Published Oct 2, 2025

Data-Efficient Multidimensional Free Energy Estimation via Physics-Informed Score Learning

Paper • 2602.11098 • Published Feb 11

Split-Flows: Measure Transport and Information Loss Across Molecular Resolutions

Paper • 2511.01464 • Published Mar 26

Adversarial Reverse Mapping of Equilibrated Condensed-Phase Molecular Structures

Paper • 2003.07753 • Published Mar 17, 2020

Interpretable Embeddings From Molecular Simulations Using Gaussian Mixture Variational Autoencoders

Paper • 1912.12175 • Published Dec 22, 2019

Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability

Paper • 2101.04996 • Published Feb 23, 2021