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

Mathematical aspects of coarse graining: functional inequalities and quasi-stationary distributions 

Tony Lelièvre
April 23, 2024

Lightning Talks

April 23, 2024

A high-bias, low-variance review of data-driven collective variable discovery and enhanced sampling

Andrew Ferguson
April 22, 2024