3 papers
physics.chem-ph2026
Excited-State Intramolecular Proton Transfer and Competing Pathways in 3-Hydroxychromone: A Non-adiabatic Dynamics Study
Alessandro Nicola Nardi, Morgane Vacher
Excited-state intramolecular proton transfer (ESIPT) is a fundamental photochemical process in which photoexcitation induces proton transfer within a molecule, leading to the forma…
physics.chem-ph2025
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
Vincent Delmas, Alessandro Nardi Nardi, Isabella C. D. Merritt +3
Poor scaling of dynamics simulations with number of dimensions is currently a major limiting factor in the simulation of photochemical processes. In this work, we investigate ways…
physics.chem-ph2025
Ultrafast probing of isotope-induced explciit symmetry breaking in ethylene
Alessandro Nicola Nardi, Alexie Boyer, Yaowei Hu +4
Symmetry governs nature's law, yet many of the natural phenomena occur due to the breakdown of symmetry. Here, we show how isotope-induced inversion symmetry breaking influences ul…