The non-adiabatic nanoreactor: towards the automated discovery of photochemistry E Pieri, D Lahana, AM Chang, CR Aldaz, KC Thompson, TJ Martínez Chemical Science 12 (21), 7294-7307, 2021 | 45 | 2021 |
Performance of coupled-cluster singles and doubles on modern stream processing architectures BS Fales, ER Curtis, KG Johnson, D Lahana, S Seritan, Y Wang, H Weir, ... Journal of Chemical Theory and Computation 16 (7), 4021-4028, 2020 | 24 | 2020 |
InteraChem: Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics Y Wang, S Seritan, D Lahana, JE Ford, A Valentini, EG Hohenstein, ... Journal of Chemical Theory and Computation 18 (6), 3308-3317, 2022 | 7 | 2022 |
Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning D Hait, D Lahana, OJ Fajen, ASP Paz, PA Unzueta, B Rana, L Lu, Y Wang, ... The Journal of Chemical Physics 160 (24), 2024 | 2 | 2024 |