Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Computer science, Mesoscopic physics, Ab initio, Property (philosophy), Coupling (piping), and Surface (topology).
Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods
High-Dimensional Atomistic Neural Network Potentials for Molecule–Surface Interactions: HCl Scattering from Au(111)
Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes
Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks