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Exploration and learning of energy and free energy landscapes
Presenter
- Mark Tuckerman
November 2, 2017
IPAM
Scalable algorithms for kernel-based surrogates in prediction and optimization
Presenter
- David Bindel
November 1, 2017
IPAM
Learning interactions from microscopic observables
Presenter
- Albert Bartók-Pártay
November 1, 2017
IPAM
A unified framework for umbrella sampling in reversible and irreversible systems
Presenter
- Aaron Dinner
November 1, 2017
IPAM
Addressing Complexity in Computational Catalyst Design with Surrogate Models
Presenter
- Zachary Ulissi
October 31, 2017
IPAM
Efficient Parallel Surrogate Methods for Global Optimization of Computationally Expensive Multimodal Models
Presenter
- Christine Shoemaker
October 31, 2017
IPAM
Beyond the second timescale in all-atom MD: shallow and deep kinetic models for biomolecules
Presenter
- Frank Noé
October 31, 2017
IPAM
Markov state modeling of protein-protein interactions and their effects on protein conformational dynamics
Presenter
- Nuria Plattner
October 30, 2017
IPAM
Embedding Quantum Regions into Classical Environments
Presenter
- Harald Oberhofer
October 30, 2017
IPAM
How do we build good databases for machine learning of force fields?
Presenter
- Gábor Csányi
October 30, 2017
IPAM
