Oleg V. Prezhdo

University of Southern California — United States

Physics and Astronomy · Physical Sciences

98h-index33.2kcitations797works8.72yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(166), Perovskite Materials and Applications(156), Quantum Dots Synthesis And Properties(148), Chalcogenide Semiconductor Thin Films(115), Molecular Junctions and Nanostructures(64)

Publications765 total

Rapid Prediction of Hot-Carrier Relaxation by Learning of Nonadiabatic Hamiltonians with Graph Neural Networks
Journal of Chemical Theory and Computation·2026
Co-passivation of Buried Interfaces in Perovskite Solar Cells with Sulfonate and Amine Salts
The Journal of Physical Chemistry Letters·2026
Replication Data for: Ultrafast Electronic Relaxation Dynamics of Atomically Thin MoS2 Is Accelerated by Wrinkling
DR-NTU (Data)·2026Open Access
Replication Data for: Ultrafast Charge Transfer and Recombination Dynamics in Monolayer–Multilayer WSe2 Junctions Revealed by Time-Resolved Photoemission Electron Microscopy
DR-NTU (Data)·2026Open Access
Identifying Optimal Alkaline Earth Metal to Passivate Oxygen Vacancies and Enhance Carrier Lifetimes in Transition Metal Oxides
Chemistry of Materials·2025· 1 cited
Compression-Induced Lattice Tilting Quenches Ion Migration at Metal Halide Perovskite Grain Boundaries: A Machine Learning Molecular Dynamics Study
The Journal of Physical Chemistry Letters·2025
Hydrogen Disproportionation Reduces the Bandgap and Prolongs the Carrier Lifetime in Cs <sub>2</sub> AgBiBr <sub>6</sub> : Quantum Dynamics Analysis
The Journal of Physical Chemistry Letters·2025· 1 cited
Ab Initio Nonadiabatic Molecular Dynamics in Weakly Coupled Nanosystems
Journal of Chemical Theory and Computation·2025· 1 cited
Exohedral Complexes of Lanthanide Atoms with the C <sub>60</sub> Fullerene Cage: Hexagonal versus Pentagonal Ring Coordination
The Journal of Physical Chemistry Letters·2025
<i>(Invited)</i> Ab Initio Quantum Dynamics of Electronic Excitations in Quantum Dots: Semiconducting, Metallic and Perovskites
ECS Meeting Abstracts·2025
Dual-Defect Donor–Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO <sub>2</sub> Photoreduction
Nano Letters·2025· 1 cited
H <sub>2</sub> O Deprotonation Promotes Hole Transfer at the Anatase TiO <sub>2</sub> (001)/Water Interface: First-Principles Molecular Dynamics
The Journal of Physical Chemistry Letters·2025· 2 cited
Native Folding Stability of the Main Protease of Coronavirus SARS-CoV-2 on a Gold Surface
The Journal of Physical Chemistry Letters·2025
Band Structure–Driven Design of a α-CsPbI₃ Ammonia Sensor for Industrial Applications
Preprints.org·2025Open Access
Semiclassical Multistate Quantum Dynamics Using Thermalized Gaussian Wavepacket
Journal of Chemical Theory and Computation·2025
Design of Transition Metal-Intercalated Carbon–Nitrogen–Boron Catalysts and Application to Electrocatalytic Carbon Monoxide Reduction
The Journal of Physical Chemistry Letters·2025
Atomistic Mechanism of Defect Self-Passivation in Metal Halide Perovskites
Nano Letters·2025· 1 cited
Interstitial Iodine Induced Deep-Trap-Pinning Suppresses Self-Healing at the TiO<sub>2</sub>/Perovskite Interface
The Journal of Physical Chemistry Letters·2025· 2 cited
Control of Charge Carrier Separation and Recombination in Quantum Dots by Ligand Binding Mode: Time-Domain Ab Initio Study
Energy & Fuels·2025· 1 cited
Anisotropic Exciton-Polariton Relaxation and Phonon Bottleneck in Microcavity-Confined Metal Halide Perovskites: Ab Initio Quantum Dynamics
Nano Letters·2025· 2 cited
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Frequent Co-authors

Run Long(10), Walter R. Duncan(7), Alexey V. Akimov(7), Linjun Wang(5), Peter J. Rossky(4), Wissam A. Saidi(4), Jin Zhao(4), Amanda J. Neukirch(3), Qijing Zheng(3), Weibin Chu(3), Dmitri S. Kilin(3), Linqiu Li(3), Colleen F. Craig(2), Sean A. Fischer(2), Jin Liu(2), Yu Xie(2), Zhenggang Lan(2), Hrvoje Petek(2), Svetlana Kilina(2), Bradley F. Habenicht(2)