Research

Andrew Ferguson, Associate Professor at the Fritzker School of Molecular Engineering of the University of Chicago, has been appointed visiting professor in Computational Science

For development of enhanced simulation techniques to unravel complex molecular transitions On 22 September, Alberto Pérez de Alba Ortíz successfully defended his PhD thesis

Bacillus subtilis forms dormant spores upon nutrient depletion. Germinant receptors (GRs) in spore’s inner membrane respond to ligands such as L-alanine, and trigger spore

We have been developing a machine learning framework to automatically find, from simulation data, the set of collective variables that best describe the reaction

A team of computational chemists at the Van ‘t Hoff Institute for Molecular Sciences of the University of Amsterdam and the Department of Chemistry