Modeling Molecular Kinetics with Koopman Operators and Kernel-based Learning

Feliks Nüske
May 13, 2024

Nonlinear Model Reduction for Slow-Fast Stochastic Systems near Unknown Invariant Manifolds

Sichen Yang
May 13, 2024

Reduced-order modeling for heat transfer in random alloys

Weiqi Chu
May 13, 2024

Modeling rare events. Discovering reaction pathways, slow variables, and committor probabilities with machine learning

Christophe Chipot
April 26, 2024

Designing protein models with machine learning and experimental data

Klara Bonneau
April 26, 2024

Learning Collective Variables and Kernels from Observations 

Ming Zhong
April 26, 2024

Learning a Neural Free-Energy Functional from Pair-Correlation Functions

Bernd Ensing
April 25, 2024

Manifold coordinates with physical meaning, and applications in MDS data

Hanyu Zhang
April 25, 2024

Active learning of Boltzmann samplers and potential energies with quantum mechanical accuracy

Pilar Cossio
April 25, 2024