Photochemistry and photophysics Review Modeling charge and energy transfer in active environmentsSurface hopping is the leading approach to help understand excited molecules in active environments. (more…) By Mario Barbatti, 1 year ago
Review Excited-state dynamics with machine learningBook chapter discusses practical aspects of how to use ML for exited-state dynamics. (more…) By Mario Barbatti, 2 years ago
Review Machine learning for excited statesReview on machine learning for excited states. (more…) By Mario Barbatti, 3 years ago
Quantum chemistry Review TDDFT: from the fundamentals to nonadiabatic dynamicsBook chapter delivers a “best-practice” guide on TDDFT. (more…) By Mario Barbatti, 3 years ago
Review Multireference Approaches for Excited States of MoleculesPaper reviews multireference methods and applications to molecular excited states. (more…) By Mario Barbatti, 6 yearsJuly 25, 2018 ago
Review Advances in Nonadiabatic Mixed Quantum-Classical DynamicsPaper reviews the last ten years of developments in nonadiabatic dynamics. (more…) By Mario Barbatti, 6 yearsMay 17, 2018 ago
Review Surface Hopping with DFT Excited StatesWhen and how to do surface hopping with DFT. By Mario Barbatti, 9 yearsFebruary 11, 2015 ago
Review Photoinduced Processes in Nucleic Acids – Book ChapterWork reviews what happens to DNA after UV excitations. (more…) By Mario Barbatti, 9 yearsNovember 10, 2014 ago