2 papers
physics.chem-ph2026
Machine learning the non-radiative decay modes in photochemical processes
Debarshi Banerjee, Gonzalo DÃaz Mirón, Alex Rodriguez +1
Non-radiative decay in photoexcited molecular systems is driven by nuclear motion toward conical intersections (CIs), where electronic states become degenerate and nonadiabatic tra…
physics.chem-ph2025
Opportunities and Challenges in Unsupervised Learning: The Case of Aqueous Electrolyte Solutions
Giulia Sormani, Alex Rodriguez, Ali Hassanali
Machine learning has emerged as a powerful tool in atomistic simulations, enabling the identification of complex patterns in molecular systems limiting human intervention and bias.…