Workshops

Optimization problems associated with complex energy landscapes: Challenges and paradigms

Sampling efficiently metastable dynamics: algorithms and mathematical analysis - Part 1

Physical Sampling I: Equilibrium

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

Sampling efficiently metastable dynamics: algorithms and mathematical analysis - Part 2

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

Introduction to DFT calculations of electronic structure: Some do's and don'ts

Physical Sampling II: Kinetics

Coarse-graining in conformational space

The complex high-dimensional energy landscapes of molecular crystals

Development and Optimization of Empirical Potentials as Surrogate Models for Energy Landscapes

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

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

Coarse-graining in physical space

Machine learning methods for physics and chemistry 2: Deep learning