Ikerbasque Research Fellow at CIC nanoGUNE, San Sebastian, Spain. 

My current research interests are the development and application of molecular simulation methods rooted in statistical mechanics, machine learning, and quantum mechanics. These simulations allow us to tackle a broad range of problems in materials science, chemistry, and related fields. In particular, I am interested in applications of these tools to crystallization, phase equilibria involving solids, structure prediction, and the study of molecular crystals.  On the other hand, the development of new simulation methods aims either at exploring uncharted territories using molecular simulation or at making routine calculations more realistic, efficient, and reliable. 

I am also a member of the PLUMED consortium, an initiative to promote the reproducibility of advanced sampling simulations.