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Modeling rare events. Discovering reaction pathways, slow variables, and committor probabilities with machine learning
Presenter
- Christophe Chipot
April 26, 2024
IMSI
Designing protein models with machine learning and experimental data
Presenter
- Klara Bonneau
April 26, 2024
IMSI
Learning Collective Variables and Kernels from Observations
Presenter
- Ming Zhong
April 26, 2024
IMSI
Learning a Neural Free-Energy Functional from Pair-Correlation Functions
Presenter
- Bernd Ensing
April 25, 2024
IMSI
Manifold coordinates with physical meaning, and applications in MDS data
Presenter
- Hanyu Zhang
April 25, 2024
IMSI
Active learning of Boltzmann samplers and potential energies with quantum mechanical accuracy
Presenter
- Pilar Cossio
April 25, 2024
IMSI
Graph learning models: theoretical understanding, limitations and enhancements
Presenter
- Yusu Wang
April 25, 2024
IMSI
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states
Presenter
- Paraskevi Gkeka
April 24, 2024
IMSI
Learning reaction coordinates and finding optimal model parameters from sampled trajectory ensembles
Presenter
- Peter Bolhuis
April 24, 2024
IMSI
