Complex High-Dimensional Energy Landscapes Tutorials - IPAM

Complex High-Dimensional Energy Landscapes Tutorials

Part of the Long Program Complex High-Dimensional Energy Landscapes
September 12 - 15, 2017

Schedule

All times in this Schedule are Pacific Time (PT)

Tuesday, September 12, 2017

Morning Session

08:00-08:55
Check-In/Light Breakfast (Hosted by IPAM)
08:55-09:00
Welcome and Opening Remarks
09:00-10:00
Christof Schuette (Freie Universität Berlin)
Optimization problems associated with complex energy landscapes: Challenges and paradigms
10:15-10:30
Break
10:30-11:30
Tony Lelièvre (Ecole des Ponts ParisTech)
Sampling efficiently metastable dynamics: algorithms and mathematical analysis - Part 1
11:45-12:15
Core Orientation with IPAM Staff

Afternoon Session

12:15-14:00
Lunch (on your own)
14:00-15:00
Graeme Henkelman (University of Texas at Austin)
Physical Sampling I: Equilibrium
15:15-15:30
Break
15:30-16:30
Houman Owhadi (California Institute of Technology)
Principles and methods of Uncertainty Quantification, a mini-tutorial I

Wednesday, September 13, 2017

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
09:00-10:00
Tony Lelièvre (Ecole des Ponts ParisTech)
Sampling efficiently metastable dynamics: algorithms and mathematical analysis - Part 2
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
11:45-14:00
Lunch (on your own)

Afternoon Session

14:00-15:00
Kieron Burke (University of California, Irvine (UCI))
Introduction to DFT calculations of electronic structure: Some do's and don'ts

Thursday, September 14, 2017

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
09:00-10:00
Graeme Henkelman (University of Texas at Austin)
Physical Sampling II: Kinetics
10:15-10:30
Break
10:30-11:30
Feliks Nüske (Universität-GHS Paderborn)
Coarse-graining in conformational space
11:45-14:00
Lunch (on your own)

Afternoon Session

14:00-15:00
Noa Marom (Carnegie Mellon University)
The complex high-dimensional energy landscapes of molecular crystals
15:15-15:30
Break
15:30-16:30
Richard Hennig (University of Florida)
Development and Optimization of Empirical Potentials as Surrogate Models for Energy Landscapes

Friday, September 15, 2017

Morning Session

08:00-09:00
Check-In/Breakfast (Hosted by IPAM)
09:00-10:00
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 (MLPRC2)
Machine learning methods for physics and chemistry 1: Regression and Kernel methods
11:45-14:00
Lunch (on your own)

Afternoon Session

14:00-15:00
Lorenzo Boninsegna (University of California, Los Angeles (UCLA))
Coarse-graining in physical space
15:15-15:30
Break
15:30-16:30
Frank Noe (MLPRC2)
Machine learning methods for physics and chemistry 2: Deep learning
Printable Version