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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Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly-p-phenylene vinylene
TL;DR: In this article, the role of intramolecular conformational disorder and intermolecular electronic interactions on the electronic structure of disorder clusters of poly-$p$-phenylene vinylene (PPV) oligomers was investigated.
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Excited electronic states of carotenoids: Time-dependent density-matrix-response algorithm
TL;DR: In this paper, the response of the single-electron density matrix of a manyelectron system to an external field is calculated using the time-dependent Hartree)Fock TDHF technique.
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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: It is found that PL decay times increase by a factor of 2 on addition of CsCl as the electrolyte, which parallels an observed near-doubling of PL intensity, indicating the brightening results primarily from changes in nonradiative decay rates associated with exciton diffusion to quenching sites.
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Automated discovery of a robust interatomic potential for aluminum
Justin S. Smith,Benjamin Nebgen,Nithin Mathew,Jie Chen,Nicholas Lubbers,Leonid Burakovsky,Sergei Tretiak,Hai Ah Nam,Timothy C. Germann,Saryu Fensin,Kipton Barros +10 more
TL;DR: In this paper, an active learning approach is proposed to automatically construct general-purpose machine-learning potentials for the aluminum case, which makes very accurate predictions of radial distribution function in melt, liquid-solid coexistence curve, and crystal properties such as defect energies and barriers.
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CEO/semiempirical calculations of UV–visible spectra in conjugated molecules
TL;DR: In this article, the collective electronic oscillators (CEO) approach based on the TDHF approximation is combined with INDO/S, MNDO, AM1, and PM3 semi-empirical Hamiltonians.