Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach. - Goran Giudetti; Madhubani Mukherjee; Samprita Nandi; Sraddha Agrawal; Oleg V. Prezhdo; Aiichiro Nakano (J. Chem. Inf. Model., 2024)

AIMD-Based Protocols for Modeling Exciplex Fluorescence Spectra and Inter-System Crossing in Photocatalytic Chromophores. - Goran Giudetti; Shaama Mallikarjun Sharada; Anna I. Krylov (J. Comput. Chem., 2025)