3 papers
physics.chem-ph2025
Dark-State-Mediated Efficient Energy Trapping in a Model GFP Chromophore
Elisabeth Gruber, Lars H. Andersen, Laurence H. Stanley +3
The functional properties of photoactive proteins are governed by the interplay between bright and dark excited states. While the bright states are well-studied, the dark states, w…
physics.chem-ph2025
XMCQDPT2-Fidelity Transfer-Learning Potentials and a Wavepacket Oscillation Model with Power-Law Decay for Ultrafast Photodynamics
Ivan V. Dudakov, Pavel M. Radzikovitsky, Dmitry S. Popov +5
A central pursuit in theoretical chemistry is the accurate simulation of photochemical reactions, which are governed by nonadiabatic transitions through conical intersections. Mach…
physics.chem-ph2025
Machine Learning Photodynamics Unveils a Controlled H Loss Channel in Methaniminium Cation
Daniil N. Chistikov, Pavel M. Radzikovitsky, Dmitry S. Popov +4
The methaniminium cation, CHNH, plays an important role in Titan's N--CH atmospheric chemistry. As the simplest protonated Schiff base (PSB), it also serves as a…