Area of research
Atomic and Molecular Physics, and Optics · Physical and Theoretical Chemistry
Research interest
Research focused on Molecular dynamics and Surface hopping, with related work in Density functional theory, Excited state, Multireference configuration interaction. Notable publications include 'Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics', 'Newton‐ X : a surface‐hopping program for nonadiabatic molecular dynamics', and 'Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods'.
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics
Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods
Newton‐<scp>X</scp>: a surface‐hopping program for nonadiabatic molecular dynamics