World's Best Scientists 2026 revealed!

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Chemistry

D-Index
107
Citations
36009
World Ranking
924
National Ranking
369

Physics

D-Index
105
Citations
35194
World Ranking
1400
National Ranking
733

Research.com Recognitions

  • 2008 - Fellow of American Physical Society (APS) Citation Development of novel methodology for quantum mechanical dynamics with applications to elucidate chemical behavior in complex systems
  • 2001 - Fellow of Alfred P. Sloan Foundation

Overview

Oleg V. Prezhdo is affiliated with the University of Southern California in the United States. Their research primarily focuses on materials science and engineering, with a substantial body of work in materials chemistry and electrical and electronic engineering.

Their recent notable papers include:

  • Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination, 2020, published in Science Advances
  • Soft Lattice and Defect Covalency Rationalize Tolerance of β-CsPbI3 Perovskite Solar Cells to Native Defects, 2020, published in Angewandte Chemie International Edition
  • Synergy between Ion Migration and Charge Carrier Recombination in Metal-Halide Perovskites, 2020, published in Journal of the American Chemical Society
  • Water Splitting with a Single-Atom Cu/TiO2 Photocatalyst: Atomistic Origin of High Efficiency and Proposed Enhancement by Spin Selection, 2021, published in JACS Au
  • Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials, 2020, published in The Journal of Physical Chemistry Letters

Frequent co-authors collaborating with Prezhdo include:

  • Run Long
  • Weibin Chu
  • Andrey S. Vasenko
  • Wei-Hai Fang
  • Bipeng Wang

The scientist's research has been featured extensively in the following publication venues:

  • The Journal of Physical Chemistry Letters
  • Journal of the American Chemical Society
  • Nano Letters
  • ACS Nano
  • Chemistry of Materials

Oleg V. Prezhdo's main fields of study are:

  • Materials Science
  • Engineering

Subfields of specialization include:

  • Materials Chemistry
  • Electrical and Electronic Engineering
  • Atomic and Molecular Physics, and Optics
  • Renewable Energy, Sustainability and the Environment
  • Electronic, Optical and Magnetic Materials

The key research topics explored by Prezhdo are:

  • Perovskite Materials and Applications
  • Chalcogenide Semiconductor Thin Films
  • Quantum Dots Synthesis And Properties
  • Solid-state spectroscopy and crystallography
  • Spectroscopy and Quantum Chemical Studies
  • 2D Materials and Applications
  • Advanced Photocatalysis Techniques

Prezhdo has been recognized with awards such as:

  • Fellow of American Physical Society (APS), 2008, for development of novel methodology for quantum mechanical dynamics with applications to elucidate chemical behavior in complex systems
  • Fellow of Alfred P. Sloan Foundation, 2001

Best Publications

  • Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics

    Colleen F. Craig;Walter R. Duncan;Oleg V. Prezhdo

  • The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems.

    Alexey V. Akimov;Oleg V. Prezhdo

  • Decoherence-induced surface hopping.

    Heather M. Jaeger;Sean Fischer;Oleg V. Prezhdo

  • Theoretical studies of photoinduced electron transfer in dye-sensitized TiO2.

    Walter R Duncan;Oleg V Prezhdo

  • Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction

    Alexey V. Akimov;Alexey V. Akimov;Oleg V. Prezhdo

  • Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces

    Alexey V. Akimov;Amanda J. Neukirch;Oleg V. Prezhdo

  • Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations

    Benjamin J. Schwartz;Benjamin J. Schwartz;Eric R. Bittner;Oleg V. Prezhdo;Peter J. Rossky

  • Recent Progress in Surface Hopping: 2011–2015

    Linjun Wang;Alexey Akimov;Oleg V. Prezhdo

  • Mean-field molecular dynamics with surface hopping

    Oleg V. Prezhdo;Peter J. Rossky

  • Unravelling the Effects of Grain Boundary and Chemical Doping on Electron-Hole Recombination in CH3NH3PbI3 Perovskite by Time-Domain Atomistic Simulation.

    Run Long;Run Long;Jin Liu;Oleg V. Prezhdo

  • Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations

    Oleg V. Prezhdo;Peter J. Rossky

  • Ultrafast carrier thermalization and cooling dynamics in few-layer MoS2

    Zhaogang Nie;Run Long;Run Long;Linfeng Sun;Chung-Che Huang

  • Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection across the Alizarin−TiO2 Interface

    Walter R. Duncan;William M. Stier;Oleg V. Prezhdo

  • Detection of Nucleic Acids with Graphene Nanopores: Ab Initio Characterization of a Novel Sequencing Device

    Tammie Nelson;Bo Zhang;Oleg V. Prezhdo

  • Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation

    Svetlana V. Kilina;Dmitri S. Kilin;Oleg V. Prezhdo

  • Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface

    Qijing Zheng;Wissam A. Saidi;Yu Xie;Zhenggang Lan

  • Quantum Zeno effect rationalizes the phonon bottleneck in semiconductor quantum dots.

    Svetlana V. Kilina;Amanda J. Neukirch;Bradley F. Habenicht;Dmitri S. Kilin

  • Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination.

    Weibin Chu;Weibin Chu;Qijing Zheng;Oleg V. Prezhdo;Jin Zhao;Jin Zhao

  • Quantum Coherence Facilitates Efficient Charge Separation at a MoS2/MoSe2 van der Waals Junction.

    Run Long;Oleg V. Prezhdo

  • RELATIONSHIP BETWEEN QUANTUM DECOHERENCE TIMES AND SOLVATION DYNAMICS IN CONDENSED PHASE CHEMICAL SYSTEMS

    Oleg V. Prezhdo;Peter J. Rossky

  • Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid

    Dmitri S. Kilin;Oleg V. Prezhdo;Younan Xia

  • The Two-Pathway Model for the Catch-Slip Transition in Biological Adhesion

    Yuriy V. Pereverzev;Oleg V. Prezhdo;Manu Forero;Evgeni V. Sokurenko

  • Mixing Quantum and Classical Mechanics

    Oleg V. Prezhdo;Vladimir V. Kisil

Frequent Co-Authors

Run Long
Run Long Beijing Normal University
Jin Zhao
Jin Zhao University of Science and Technology of China
Wei-Hai Fang
Wei-Hai Fang Beijing Normal University
Sergei Tretiak
Sergei Tretiak Los Alamos National Laboratory
George C. Schatz
George C. Schatz Northwestern University
Svetlana Kilina
Svetlana Kilina North Dakota State University
Timothy S. Zwier
Timothy S. Zwier Purdue University West Lafayette
Gregory D. Scholes
Gregory D. Scholes Princeton University
Francisco Zaera
Francisco Zaera University of California, Riverside
Patrick E. Hopkins
Patrick E. Hopkins University of Virginia

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