Experience
Education
Bio
Research interests
My expertise is in atomistic simulation, particularly in multi scale modelling that couples quantum mechanics to larger length scales. I am currently engaged in applying machine learning and other data intensive techniques to materials modelling problems, such as deriving force fields (interatomic potentials) from ab initio electronic structure data. Also interested in statistical problems in molecular dynamics, e.g. in enhanced sampling algorithms that can be used explore the global configuration space of materials and molecules.