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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
The Calculus of Comedy: Math in The Simpsons, Futurama, and The Big Bang Theory
Presenters
- J. Stewart Burns
- David Cohen
- Al Jean
- Eric Kaplan
- Ken Keeler
- Jeff Westbrook
- Sarah Greenwald
October 25, 2017
IPAM
Stochastic Surface Walking Method for Reaction Sampling and the Combination with Machine Learning
Presenter
- Zhi-Pan Liu
October 20, 2017
IPAM
Nested sampling for computational thermodynamics (how to calculate phase diagrams without the fuss)
Presenter
- Livia Bartók-Pártay
October 20, 2017
IPAM
Ensemble preconditioning for Markov chain Monte Carlo
Presenter
- Jonathan Weare
October 20, 2017
IPAM