Graph learning models: theoretical understanding, limitations and enhancements

Yusu Wang
April 25, 2024

From coarse-grained models to conformational ensembles 

Grant Rotskoff
April 24, 2024

Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states

Paraskevi Gkeka
April 24, 2024

Learning reaction coordinates and finding optimal model parameters from sampled trajectory ensembles

Peter Bolhuis
April 24, 2024

Automatic Symmetry Discovery from Data 

Rose Yu
April 24, 2024

Lightning Talks

April 24, 2024

Denoising Force Fields

Marloes Arts
April 23, 2024

Quantum-Chemical Predictions from Coarse-Grained Molecular Representations

Nick Jackson
April 23, 2024

End-to-end differentiation for reversible coarse-graining and rare-event sampling

Rafael Gomez-Bombarelli
April 23, 2024