Jan Hamaekers is the head of the department Virtual Material Design at Fraunhofer SCAI. He is a mathematician with focus on scientific computing, numerical simulation, multi-scale modelling, high performance computing, high dimensional problems, optimization, data analysis and machine learning with applications in chemistry, physics, material science and nanotechnology. He has co-authored about 30 scientific articles and has been and is involved in several third-party funded research and industry projects as PI. Moreover, he is responsible for SCAI’s commercial software package Tremolo-X(ATKForceField) for molecular dynamics simulations.