Matti Hellström joins SCM to improve ReaxFF with machine learning

The SCM staff is very happy to welcome Matti as a Marie Curie fellow to combine the accuracy of machine learning with the flexibility and transferability of ReaxFF in the EU funded Machine Learning applied to Reactivity project (MaLeR).

The approach Matti is developing since December 2018 enhances ReaxFF with machine learning, enabling the simulation of large systems with complex reaction dynamics at a much higher accuracy without having to rebuild such large training sets as are customary in machine learned potentials.

Machine Learning ReaxFF
Key concepts