Rubén at the GP-MLFF workshop in Luxembourg

Rubén attended the first edition of the workshop General-Purpose Machine-Learned Force Fields in Theory and Practice, held at the University of Luxembourg from 13 to 15 July. Over three days of lectures, tutorials and hands-on sessions, the workshop brought together researchers developing and applying general-purpose machine-learned force fields for chemistry and materials science.

Rubén presented his poster Accelerating convergence of ML/MM simulations with mean field approach, on how the EMLE scheme lets the MM environment relax around a fixed ML region to obtain free energy profiles at a fraction of the cost of conventional ML/MM simulations.