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physics.chem-ph2026
Transferable excited-state dynamics enable screening of fluorescent protein chromophores
Rhyan Barrett, Sophia Wesely, Julia Westermayr
Transferable excited-state dynamics offer a route to efficient screening of photophysical behavior across molecular systems, but conventional nonadiabatic simulations remain prohib…
physics.chem-ph2025
Transferable Machine Learning Potential X-MACE for Excited States using Integrated DeepSets
Rhyan Barrett, Christoph Ortner, Julia Westermayr
Conical intersections serve as critical gateways in photochemical reactions, enabling rapid nonradiative transitions between potential energy surfaces that underpin fundamental pro…