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Victor M. Freixas
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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
672020
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
302018
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
292021
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
202019
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
182021
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
172021
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
152020
The Newtonian mechanics of a vibrot
H Torres, VM Freixas, DP Adán
arXiv preprint arXiv:1609.08195, 2016
132016
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
112022
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
102020
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
102020
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
92020
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
72023
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
72022
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
42023
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
42022
Exploring conformational space with thermal fluctuations obtained by normal-mode analysis
TE Saldaño, VM Freixas, SCE Tosatto, G Parisi, S Fernandez-Alberti
Journal of Chemical Information and Modeling 60 (6), 3068-3080, 2020
42020
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
32023
Vibrational Funnels for Energy Transfer in Organic Chromophores
H Negrin-Yuvero, VM Freixas, D Ondarse-Alvarez, L Alfonso-Hernandez, ...
The Journal of Physical Chemistry Letters 14 (20), 4673-4681, 2023
32023
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
32023
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