| NEXMD software package for nonadiabatic excited state molecular dynamics simulations W Malone, B Nebgen, A White, Y Zhang, H Song, JA Bjorgaard, AE Sifain, ... Journal of Chemical Theory and Computation 16 (9), 5771-5783, 2020 | 80 | 2020 |
| Nonadiabatic excited-state molecular dynamics methodologies: Comparison and convergence VM Freixas, AJ White, T Nelson, H Song, DV Makhov, D Shalashilin, ... The Journal of Physical Chemistry Letters 12 (11), 2970-2982, 2021 | 39 | 2021 |
| An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules VM Freixas, S Fernandez-Alberti, DV Makhov, S Tretiak, D Shalashilin Physical Chemistry Chemical Physics 20 (26), 17762-17772, 2018 | 36 | 2018 |
| An ab initio multiple cloning method for non-adiabatic excited-state molecular dynamics in NWChem H Song, VM Freixas, S Fernandez-Alberti, AJ White, Y Zhang, S Mukamel, ... Journal of Chemical Theory and Computation 17 (6), 3629-3643, 2021 | 25 | 2021 |
| Monitoring molecular vibronic coherences in a bichromophoric molecule by ultrafast X-ray spectroscopy D Keefer, VM Freixas, H Song, S Tretiak, S Fernandez-Alberti, S Mukamel Chemical science 12 (14), 5286-5294, 2021 | 24 | 2021 |
| Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks VM Freixas, D Ondarse-Alvarez, S Tretiak, DV Makhov, DV Shalashilin, ... The Journal of Chemical Physics 150 (12), 2019 | 23 | 2019 |
| Nexmd v2. 0 software package for nonadiabatic excited state molecular dynamics simulations VM Freixas, W Malone, X Li, H Song, H Negrin-Yuvero, R Pérez-Castillo, ... Journal of Chemical Theory and Computation 19 (16), 5356-5368, 2023 | 19 | 2023 |
| Vibronic quantum beating between electronic excited states in a heterodimer VM Freixas, S Tretiak, DV Makhov, DV Shalashilin, S Fernandez-Alberti The Journal of Physical Chemistry B 124 (19), 3992-4001, 2020 | 15 | 2020 |
| The Newtonian mechanics of a vibrot H Torres, VM Freixas, DP Adán arXiv preprint arXiv:1609.08195, 2016 | 15 | 2016 |
| Infinitene: Computational insights from nonadiabatic excited state dynamics VM Freixas, S Tretiak, S Fernandez-Alberti The Journal of Physical Chemistry Letters 13 (36), 8495-8501, 2022 | 13 | 2022 |
| Electronic energy relaxation in a photoexcited fully fused edge-sharing carbon nanobelt VM Freixas, N Oldani, R Franklin-Mergarejo, S Tretiak, ... The Journal of Physical Chemistry Letters 11 (12), 4711-4719, 2020 | 13 | 2020 |
| Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful? VM Freixas, T Nelson, D Ondarse-Alvarez, P Nijjar, A Mikhailovsky, ... The Journal of Chemical Physics 153 (24), 2020 | 12 | 2020 |
| Photoinduced dynamics with constrained vibrational motion: Frozenm algorithm H Negrin-Yuvero, VM Freixas, B Rodriguez-Hernandez, G Rojas-Lorenzo, ... Journal of Chemical Theory and Computation 16 (12), 7289-7298, 2020 | 11 | 2020 |
| Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by X-ray stimulated-Raman signals VM Freixas, D Keefer, S Tretiak, S Fernandez-Alberti, S Mukamel Chemical science 13 (21), 6373-6384, 2022 | 10 | 2022 |
| X-ray and optical circular dichroism as local and global ultrafast chiral probes of [12] helicene racemization VM Freixas, JR Rouxel, Y Nam, S Tretiak, N Govind, S Mukamel Journal of the American Chemical Society 145 (38), 21012-21019, 2023 | 9 | 2023 |
| Charge-Transfer luminescence in a molecular donor–acceptor complex: computational insights A Forde, VM Freixas, S Fernandez-Alberti, AJ Neukirch, S Tretiak The Journal of Physical Chemistry Letters 13 (37), 8755-8760, 2022 | 9 | 2022 |
| Photoexcited energy relaxation in a zigzag carbon nanobelt H Negrin-Yuvero, VM Freixas, D Ondarse-Alvarez, AE Ledesma, S Tretiak, ... The Journal of Physical Chemistry C 127 (11), 5449-5456, 2023 | 7 | 2023 |
| The impact of stacking and phonon environment on energy transfer in organic chromophores: computational insights A Mukazhanova, H Negrin-Yuvero, VM Freixas, S Tretiak, ... Journal of Materials Chemistry C 11 (16), 5297-5306, 2023 | 6 | 2023 |
| Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes VM Freixas, N Oldani, S Tretiak, S Fernandez-Alberti The Journal of Physical Chemistry Letters 14 (45), 10145-10150, 2023 | 5 | 2023 |
| Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring LA Hernandez, VM Freixas, B Rodriguez-Hernandez, S Tretiak, ... Physical Chemistry Chemical Physics 24 (39), 24095-24104, 2022 | 4 | 2022 |
Sergei TretiakLos Alamos National LaboratoryVerified email at lanl.gov
