Complex High-Dimensional Energy Landscapes Tutorials

September 12 - 15, 2017

Schedule

All times in this Schedule are Pacific Time (PT)

Tuesday, September 12, 2017

Morning Session

8:00 - 8:55 Check-In/Breakfast (Hosted by IPAM)
8:55 - 9:00 Welcome and Opening Remarks
9:00 - 10:00
Christof Schuette (Freie Universität Berlin)

Optimization problems associated with complex energy landscapes: Challenges and paradigms

 
10:15 - 10:30 Break
10:30 - 11:30
11:45 - 12:15 Core Orientation with IPAM Staff
12:15 - 2:00 Lunch (on your own)

Afternoon Session

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

Physical Sampling I: Equilibrium
PDF Presentation

 
3:15 - 3:30 Break
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

Morning Session

8:00 - 9:00 Breakfast (hosted by IPAM)
9:00 - 10:00
10:15 - 10:30 Break
10:30 - 11:30
Houman Owhadi (California Institute of Technology)

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

 
11:45 - 2:00 Lunch (on your own)

Afternoon Session

2:00 - 3:00
 

Thursday, September 14, 2017

Morning Session

8:00 - 9:00 Breakfast (hosted by IPAM)
9:00 - 10:00
Graeme Henkelman (University of Texas at Austin)

Physical Sampling II: Kinetics
PDF Presentation

 
10:15 - 10:30 Break
10:30 - 11:30
Feliks Nüske (Rice University)

Coarse-graining in conformational space
PDF Presentation

 
11:45 - 2:00 Lunch (on your own)

Afternoon Session

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

The complex high-dimensional energy landscapes of molecular crystals

3:15 - 3:30 Break
3:30 - 4:30

Friday, September 15, 2017

Morning Session

8:00 - 9:00 Breakfast (hosted by IPAM)
9:00 - 10:00
Christof Schuette (Freie Universität Berlin)

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

 
10:15 - 10:30 Break
10:30 - 11:30
Frank Noe (Freie Universität Berlin)

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

 
11:45 - 2:00 Lunch (on your own)

Afternoon Session

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

Coarse-graining in physical space
PDF Presentation

 
3:15 - 3:30 Break
3:30 - 4:30
Frank Noe (Freie Universität Berlin)

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