Highlights

Dr. Ruyhei Sato from Tokyo University and Tim Kamsam (PhD student in Utrecht University in Theoretical Physics and Mathematics) visited Material Theory Group this summer for few months ! Picture of the MTG (from left to right: Dr. Ruyhei Sato, Kim Kamsma, Dr. Maélie Caussé, Prof. Chris Pickard, Dr. Stefano Racioppi, Kieran...

The first edition CS2PA workshop, a series of hands-on tutorials on Crystal Structure Prediction & Machine-learned potentials was held in Poitiers University (France), (see program of CS2PA ) MTG leader Chris Pickard and Dr. Peter Cooke presented the AIRSS/EDDP of Pr. Chris Pickard et al. during the workshop. Four...

The Materials Theory Group was well represented at the Gordon Research at High Pressure Conference in Holderness, New Hampshire, from 14-19 July. This year, the conference was chaired by our group leader, Prof. Chris Pickard . The program covered a wide range of topics, this year focusing on Exploring Matter Beyond...

Machine learning is quickly gaining prominence in the field of computational materials science. In the Materials Theory Group, we develop so-called ‘machine learned interatomic potentials’ (MLIPs), which can describe the interactions between atoms in both solids and liquids. MLIPs are trained on vast quantities of data...