Machine-Learning Augmented Sampling for the Molecular Sciences

The workshop will be held between May 11, 2022 and May 13, 2022 in Lausanne, at the CECAM headquarters.

It is organized by Giuseppe Carleo, head of CQSL, Marylou Gabrié of the École Polytechnique, Juan P. Garrahan of the University of Nottingham, and Grant Rotskoff of Stanford University.

Goal of the workshop is to facilitate interactions among the many areas of fundamental science that are seeing advances thanks to machine-learning techniques. The goal is also to accelerate the dissemination of machine learning strategies for sampling the high-dimensional and multimodal distributions that arise throughout the molecular sciences. The workshop will serve to recap recent advances across communities and reflect on the next steps to tackle several critical challenges in the field. Problems that arise in sampling physical distributions are among the major challenges on which the CQSL-sponsored workshop will focus on.

Registrations and other info available at the event's website.