Sebastian Fernandez Alberti
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Nonadiabatic excited-state molecular dynamics: Modeling photophysics in organic conjugated materials
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
Accounts of chemical research 47 (4), 1155-1164, 2014
1892014
Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of Physical Chemistry B 115 (18), 5402-5414, 2011
1732011
Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of Physical Chemistry B 115 (18), 5402-5414, 2011
1732011
Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
S Fernandez-Alberti, AE Roitberg, T Nelson, S Tretiak
The Journal of chemical physics 137 (1), 014512, 2012
1502012
Self-trapping of excitons, violation of Condon approximation, and efficient fluorescence in conjugated cycloparaphenylenes
L Adamska, I Nayyar, H Chen, AK Swan, N Oldani, S Fernandez-Alberti, ...
Nano letters 14 (11), 6539-6546, 2014
1252014
Factors controlling the reactivity of hydrogen sulfide with hemeproteins
R Pietri, A Lewis, RG León, G Casabona, L Kiger, SR Yeh, ...
Biochemistry 48 (22), 4881-4894, 2009
1022009
Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
The Journal of chemical physics 138 (22), 224111, 2013
1012013
Evolutionary conservation of protein vibrational dynamics
S Maguid, S Fernandez-Alberti, J Echave
Gene 422 (1-2), 7-13, 2008
942008
Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ...
Chemical reviews 120 (4), 2215-2287, 2020
902020
Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of chemical physics 136 (5), 054108, 2012
892012
Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters
T Nelson, S Fernandez-Alberti, V Chernyak, AE Roitberg, S Tretiak
The Journal of chemical physics 136 (5), 054108, 2012
892012
Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer
S Fernandez-Alberti, VD Kleiman, S Tretiak, AE Roitberg
The Journal of Physical Chemistry A 113 (26), 7535-7542, 2009
822009
Evolutionary conservation of protein backbone flexibility
S Maguid, S Fernández-Alberti, G Parisi, J Echave
Journal of molecular evolution 63 (4), 448-457, 2006
782006
Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach
DV Makhov, C Symonds, S Fernandez-Alberti, DV Shalashilin
Chemical Physics 493, 200-218, 2017
742017
Exploring the common dynamics of homologous proteins. Application to the globin family
S Maguid, S Fernandez-Alberti, L Ferrelli, J Echave
Biophysical journal 89 (1), 3-13, 2005
702005
Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency C C Bonds
S Fernandez-Alberti, VD Kleiman, S Tretiak, AE Roitberg
The Journal of Physical Chemistry Letters 1 (18), 2699-2704, 2010
642010
Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
Chemical Physics Letters 590, 208-213, 2013
532013
Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers
S Fernandez-Alberti, AE Roitberg, VD Kleiman, T Nelson, S Tretiak
The Journal of chemical physics 137 (22), 22A526, 2012
522012
Electronic delocalization, vibrational dynamics, and energy transfer in organic chromophores
T Nelson, S Fernandez-Alberti, AE Roitberg, S Tretiak
The journal of physical chemistry letters 8 (13), 3020-3031, 2017
462017
Dynamics of energy transfer in a conjugated dendrimer driven by ultrafast localization of excitations
JF Galindo, E Atas, A Altan, DG Kuroda, S Fernandez-Alberti, S Tretiak, ...
Journal of the American Chemical Society 137 (36), 11637-11644, 2015
462015
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