D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 75 Citations 16,741 313 World Ranking 1889 National Ranking 734

Research.com Recognitions

Awards & Achievements

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

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Electron
  • Organic chemistry

The scientist’s investigation covers issues in Ab initio, Chemical physics, Quantum dot, Atomic physics and Phonon. His research in Ab initio intersects with topics in Ab initio quantum chemistry methods, Semiconductor, Electronic structure, Adiabatic process and Density functional theory. His Chemical physics research is multidisciplinary, relying on both Molecular electronics, Chromophore, Analytical chemistry, Electron transfer and Band gap.

His Quantum dot study combines topics in areas such as Excited state and Exciton. His studies deal with areas such as Relaxation, Proton and Molecular dynamics as well as Atomic physics. Oleg V. Prezhdo combines subjects such as Dephasing, Molecular physics, Density of states and Multiple exciton generation with his study of Phonon.

His most cited work include:

  • Theoretical studies of photoinduced electron transfer in dye-sensitized TiO2. (443 citations)
  • Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics (346 citations)
  • Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces (326 citations)

What are the main themes of his work throughout his whole career to date?

Oleg V. Prezhdo mainly investigates Chemical physics, Ab initio, Molecular dynamics, Density functional theory and Electron. His Chemical physics research integrates issues from Charge carrier, Perovskite, Molecule, Electron transfer and Computational chemistry. His Ab initio study integrates concerns from other disciplines, such as Semiconductor, Molecular physics, Electronic structure, Atomic physics and Phonon.

He usually deals with Phonon and limits it to topics linked to Quantum dot and Exciton. His work deals with themes such as Relaxation, Vibronic coupling, Carbon nanotube, Adiabatic process and Graphene, which intersect with Molecular dynamics. His Density functional theory study frequently involves adjacent topics like Quantum dynamics.

He most often published in these fields:

  • Chemical physics (31.50%)
  • Ab initio (25.46%)
  • Molecular dynamics (21.79%)

What were the highlights of his more recent work (between 2018-2021)?

  • Chemical physics (31.50%)
  • Ab initio (25.46%)
  • Charge carrier (8.61%)

In recent papers he was focusing on the following fields of study:

His main research concerns Chemical physics, Ab initio, Charge carrier, Density functional theory and Perovskite. The various areas that Oleg V. Prezhdo examines in his Chemical physics study include Semiconductor, Halide, Charge, Electron and Band gap. The study incorporates disciplines such as Phonon, Exciton and Doping in addition to Electron.

The various areas that Oleg V. Prezhdo examines in his Ab initio study include Time-dependent density functional theory, Nanoscopic scale, Molecular dynamics, Quantum dynamics and Molecular physics. His studies deal with areas such as Projector and Relaxation as well as Molecular dynamics. The study incorporates disciplines such as Excited state, Electronic structure, Molecule and Vacancy defect in addition to Density functional theory.

Between 2018 and 2021, his most popular works were:

  • Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. (38 citations)
  • Superoxide/Peroxide Chemistry Extends Charge Carriers' Lifetime but Undermines Chemical Stability of CH3NH3PbI3 Exposed to Oxygen: Time-Domain ab Initio Analysis. (25 citations)
  • Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis. (24 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Electron
  • Organic chemistry

His primary scientific interests are in Chemical physics, Ab initio, Charge carrier, Perovskite and Electron. He has researched Chemical physics in several fields, including Perovskite solar cell, Halide, Charge, Dopant and Vacancy defect. The concepts of his Ab initio study are interwoven with issues in Semiconductor, Chemical stability and Molecular dynamics.

His work carried out in the field of Perovskite brings together such families of science as Excited state and Density functional theory. His biological study spans a wide range of topics, including Crystallographic defect, Phonon, Ambient pressure and Coupling parameter. His Phonon research integrates issues from Spectroscopy, Exciton, Coherence, Dephasing and Quantum dot.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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

Walter R. Duncan;Oleg V. Prezhdo.
Annual Review of Physical Chemistry (2007)

592 Citations

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

Colleen F. Craig;Walter R. Duncan;Oleg V. Prezhdo.
Physical Review Letters (2005)

537 Citations

Theoretical Insights into Photoinduced Charge Transfer and Catalysis at Oxide Interfaces

Alexey V. Akimov;Amanda J. Neukirch;Oleg V. Prezhdo.
Chemical Reviews (2013)

412 Citations

Mean-field molecular dynamics with surface hopping

Oleg V. Prezhdo;Peter J. Rossky.
Journal of Chemical Physics (1997)

345 Citations

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

Alexey V. Akimov;Oleg V. Prezhdo.
Journal of Chemical Theory and Computation (2013)

343 Citations

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.
Journal of Chemical Physics (1996)

327 Citations

Decoherence-induced surface hopping.

Heather M. Jaeger;Sean Fischer;Oleg V. Prezhdo.
Journal of Chemical Physics (2012)

300 Citations

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

Walter R. Duncan;William M. Stier;Oleg V. Prezhdo.
Journal of the American Chemical Society (2005)

293 Citations

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

Oleg V. Prezhdo;Peter J. Rossky.
Journal of Chemical Physics (1997)

278 Citations

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

Tammie Nelson;Bo Zhang;Oleg V. Prezhdo.
Nano Letters (2010)

278 Citations

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