Oleg Prezhdo

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Vitaly ChabanDeveloper & professorVerified email at edu.pucrs.br
Walter DuncanSchrodingerVerified email at schrodinger.com
Weibin ChuFudan UniversityVerified email at usc.edu
Svetlana V KilinaAssistant professor chemistry North Dakota State UniversityVerified email at ndsu.edu
Bradley F HabenichtPost Doctoral Research Assistant, Oak Ridge National LaboratoryVerified email at ornl.gov
Amanda NeukirchLos Alamos National LaboratroyVerified email at lanl.gov
Dmitri KilinNorth Dakota State University; University of South DakotaVerified email at ndsu.edu
Linqiu LiuscVerified email at usc.edu
Wissam A. SaidiUniversity of Pittsburgh; Mechanical Engineering and Materials ScienceVerified email at pitt.edu
Linjun WangUniversity of Sourthern CaliforniaVerified email at usc.edu
Sergei TretiakLos Alamos National LaboratoryVerified email at lanl.gov
郑奇靖 | Qijing ZhengUniversity of Science and Technology of ChinaVerified email at ustc.edu.cn
Andrey S. VasenkoProfessor, Theoretical Physics, HSE UniversityVerified email at hse.ru
Jin LiuUniversity of RochesterVerified email at hse.rochester.edu
Oleg N. KaluginV.N. Karazin Kharkiv National UniversityVerified email at karazin.ua
Sean A. FischerU.S. Naval Research LaboratoryVerified email at nrl.navy.mil
Dhara TrivediAssistant Professor, Clarkson UniversityVerified email at clarkson.edu
Patrick E. HopkinsUniversity of VirginiaVerified email at virginia.edu
Zhi-Heng LohNanyang Technological UniversityVerified email at ntu.edu.sg
Andrew E. SifainRoivant SciencesVerified email at usc.edu

Oleg Prezhdo

Professor of Chemistry, and Physics and Astronomy, University of Southern California

Verified email at usc.edu - Homepage

quantum dynamics nanoscale systems solar energy


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Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics CF Craig, WR Duncan, OV Prezhdo Physical review letters 95 (16), 163001, 2005	668	2005
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO₂ WR Duncan, OV Prezhdo Annu. Rev. Phys. Chem. 58, 143-184, 2007	642	2007
The PYXAID program for non-adiabatic molecular dynamics in condensed matter systems AV Akimov, OV Prezhdo Journal of chemical theory and computation 9 (11), 4959-4972, 2013	553	2013
Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces AV Akimov, AJ Neukirch, OV Prezhdo Chemical reviews 113 (6), 4496-4565, 2013	484	2013
Decoherence-induced surface hopping HM Jaeger, S Fischer, OV Prezhdo The Journal of chemical physics 137 (22), 2012	470	2012
Advanced capabilities of the PYXAID program: integration schemes, decoherence effects, multiexcitonic states, and field-matter interaction AV Akimov, OV Prezhdo Journal of chemical theory and computation 10 (2), 789-804, 2014	428	2014
Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations BJ Schwartz, ER Bittner, OV Prezhdo, PJ Rossky The Journal of chemical physics 104 (15), 5942-5955, 1996	376	1996
Mean-field molecular dynamics with surface hopping OV Prezhdo, PJ Rossky The Journal of chemical physics 107 (3), 825-834, 1997	370	1997
Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations OV Prezhdo, PJ Rossky The Journal of chemical physics 107 (15), 5863-5878, 1997	344	1997
Unravelling the Effects of Grain Boundary and Chemical Doping on Electron–Hole Recombination in CH₃NH₃PbI₃ Perovskite by Time-Domain Atomistic Simulation R Long, J Liu, OV Prezhdo Journal of the American Chemical Society 138 (11), 3884-3890, 2016	341	2016
Recent progress in surface hopping: 2011–2015 L Wang, A Akimov, OV Prezhdo The journal of physical chemistry letters 7 (11), 2100-2112, 2016	309	2016
Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection across the Alizarin−TiO₂ Interface WR Duncan, WM Stier, OV Prezhdo Journal of the American Chemical Society 127 (21), 7941-7951, 2005	307	2005
Detection of nucleic acids with graphene nanopores: ab initio characterization of a novel sequencing device T Nelson, B Zhang, OV Prezhdo Nano letters 10 (9), 3237-3242, 2010	300	2010
Breaking the phonon bottleneck in PbSe and CdSe quantum dots: time-domain density functional theory of charge carrier relaxation SV Kilina, DS Kilin, OV Prezhdo Acs Nano 3 (1), 93-99, 2009	281	2009
Ultrafast Carrier Thermalization and Cooling Dynamics in Few-Layer MoS₂ Z Nie, R Long, L Sun, CC Huang, J Zhang, Q Xiong, DW Hewak, Z Shen, ... ACS nano 8 (10), 10931-10940, 2014	263	2014
Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid DS Kilin, OV Prezhdo, Y Xia Chemical Physics Letters 458 (1-3), 113-116, 2008	248	2008
The two-pathway model for the catch-slip transition in biological adhesion YV Pereverzev, OV Prezhdo, M Forero, EV Sokurenko, WE Thomas Biophysical journal 89 (3), 1446-1454, 2005	245	2005
Instantaneous Generation of Charge-Separated State on TiO₂ Surface Sensitized with Plasmonic Nanoparticles R Long, OV Prezhdo Journal of the American Chemical Society 136 (11), 4343-4354, 2014	238	2014
Mixing quantum and classical mechanics OV Prezhdo, VV Kisil Physical Review A 56 (1), 162, 1997	238	1997
Time-Domain ab Initio Study of Charge Relaxation and Recombination in Dye-Sensitized TiO₂ WR Duncan, CF Craig, OV Prezhdo Journal of the American Chemical Society 129 (27), 8528-8543, 2007	236	2007

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