Complex High-Dimensional Energy Landscapes Tutorials

September 12 - 15, 2017

Schedule


Tuesday, September 12, 2017

9:00 - 10:00
Christof Schuette (Freie Universität Berlin)

Optimization problems associated with complex energy landscapes: Challenges and paradigms

 
10:30 - 11:30
2:00 - 3:00
Graeme Henkelman (University of Texas at Austin)

Physical Sampling I: Equilibrium
PDF Presentation

 
3:30 - 4:30
Houman Owhadi (California Institute of Technology)

Principles and methods of Uncertainty Quantification, a mini-tutorial I
PDF Presentation

 

Wednesday, September 13, 2017

9:00 - 10:00
10:30 - 11:30
Houman Owhadi (California Institute of Technology)

Principles and methods of Uncertainty Quantification, a mini-tutorial II
PDF Presentation

 
2:00 - 3:00
 

Thursday, September 14, 2017

9:00 - 10:00
Graeme Henkelman (University of Texas at Austin)

Physical Sampling II: Kinetics
PDF Presentation

 
10:30 - 11:30
Feliks Nueske (Rice University)

Coarse-graining in conformational space
PDF Presentation

 
2:00 - 3:00
Noa Marom (Carnegie-Mellon University)

The complex high-dimensional energy landscapes of molecular crystals

3:30 - 4:30
Richard Hennig (University of Florida)

Potentials
PDF Presentation

 

Friday, September 15, 2017

9:00 - 10:00
Christof Schuette (Freie Universität Berlin)

Optimal control problems associated with complex energy landscapes: Challenges and paradigms

 
10:30 - 11:30
Frank Noe (Freie Universität Berlin)

Machine learning methods for physics and chemistry 1: Regression and Kernel methods
PDF Presentation

 
2:00 - 3:00
Lorenzo Boninsegna (Rice University)

Coarse-graining in physical space
PDF Presentation

 
3:30 - 4:30
Frank Noe (Freie Universität Berlin)

Machine learning methods for physics and chemistry 2: Deep learning
PDF Presentation