S
Sergei Tretiak
Researcher at Los Alamos National Laboratory
Publications - 475
Citations - 28719
Sergei Tretiak is an academic researcher from Los Alamos National Laboratory. The author has contributed to research in topics: Excited state & Density functional theory. The author has an hindex of 73, co-authored 415 publications receiving 23905 citations. Previous affiliations of Sergei Tretiak include European University of Brittany & University of Central Florida.
Papers
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Journal ArticleDOI
Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood from ab Initio Molecular Dynamics Simulations
Liujiang Zhou,Amanda Neukirch,Dayton J. Vogel,Dmitri S. Kilin,Laurent Pedesseau,Marcelo A. Carignano,Aditya D. Mohite,Jacky Even,Claudine Katan,Sergei Tretiak +9 more
TL;DR: In this article, a systematic study on the broadening density of states (DOS) deep in the valence bands of lead-halide perovskites has been conducted, which has been experimentally observed but absent in static calculations.
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Mechanism of electrolyte-induced brightening in single-wall carbon nanotubes.
Juan G. Duque,Laura Oudjedi,Jared Crochet,Sergei Tretiak,Brahim Lounis,Stephen K. Doorn,Laurent Cognet +6 more
TL;DR: In this article, the authors investigated the role of electrolyte in photoluminescence (PL) and found that PL decay times increase by a factor of 2 with the addition of CsCl as the electrolyte.
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Computational study of photoexcited dynamics in bichromophoric cross-shaped oligofluorene
TL;DR: Numerical simulations analyze the effects of molecular geometry distortion during the electronic energy redistribution and suggest spectroscopic signatures reflecting complex electron-vibrational dynamics in a spiro-linked conjugated polyfluorene at room and low temperatures.
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Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution.
D. Ondarse-Alvarez,Sevnur Kömürlü,Adrian E. Roitberg,Gustavo Pierdominici-Sottile,Sergei Tretiak,Sebastian Fernandez-Alberti,Valeria D. Kleiman +6 more
TL;DR: The results indicate a subpicosecond loss of anisotropy due to an initial excitation into several states with different spatial localizations, followed by exciton self-trapping on different units, which leads to an ultrafast energy redistribution among isoenergetic chromophore units.
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An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules
Victor M. Freixas,Sebastian Fernandez-Alberti,Dmitry V. Makhov,Dmitry V. Makhov,Sergei Tretiak,Dmitrii V. Shalashilin +5 more
TL;DR: A new implementation of the Ab Initio Multiple Cloning (AIMC) method is presented, which is applied for non-adiabatic excited-state molecular dynamics simulations of photoinduced processes in conjugated molecules.