Ab initio real-time quantum dynamics of charge carriers in momentum space. - Zhenfa Zheng; Yongliang Shi; Jin-Jian Zhou; Oleg V. Prezhdo; Qijing Zheng; Jin Zhao (Nat. Comput. Sci., 2023)

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)