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Towards Universal ML Potential for Organic Molecules
Presenter
- Olexandr Isayev
November 2, 2017
IPAM
Data-driven characterization and control of complex systems
Presenter
- Steve Brunton
November 2, 2017
IPAM
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