Rydzewski Research Group at NCU

Theoretical Chemical Physics (TCP) group led by Dr. Jakub Rydzewski, an Associate Professor at the Institute of Physics, Nicolaus Copernicus University in Toruń, Poland.

We combine statistical physics, machine learning, and enhanced sampling techniques to study complex systems in molecular dynamics simulations. We focus on spectral map, a method for learning slow dynamical processes.

We are currently implementing spectre, a PyTorch machine learning library for spectral methods and dimensionality reduction. A development version is available on Codeberg.