Publication authors: Walter Thiel

Unveiling the Role of Hot Charge-Transfer States in Molecular Aggregates via Nonadiabatic Dynamics

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor Interfaces

Nonadiabatic Excited-State Dynamics with Machine Learning

Nonadiabatic dynamics simulations of photoexcited urocanic acid