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Sergei Tretiak

Los Alamos National Laboratory

United States

Research Interests

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Professors in United States Professors in Condensed Matter Physics Condensed Matter Physics professors in United States

Articles (20)

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Collaborators (9)

Dmitri Kilin

Associate Professor

North Dakota State University

UNITED STATES

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YIhan Shao

Associate Professor

Brandeis University

UNITED STATES

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Peter Bäuerle

GERMANY

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Christoph Lienau

Professor in Experimental Physics

Carl von Ossietzky Universität Oldenburg

GERMANY

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YuHuang Wang

Professor

University of Maryland

UNITED STATES

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Sanghita Sengupta

Assistant Professor

University of Southern Mississippi

UNITED STATES

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Svetlana Kilina

North Dakota State University

UNITED STATES

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Yu Zhang

Staff Scientist

Los Alamos National Laboratory

UNITED STATES

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M. Garavelli

ITALY

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Sergei Tretiak

Research Interests

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Articles (20)

Signatures of Antisymmetric Vibrations in the Ultrafast Dynamics of Quadrupolar Dyes

Towards a theoretical understanding of excitonic properties of phthalocyanine thin films. I. Low-temperature exciton absorption spectra

Covalent Control of Excitonic Interactions in Perylenediimide Trimers: A Computational Study

Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry

High-Performance Semiempirical Excited-State Molecular Dynamics Powered by Graphics Processing Units

Hot electron-driven nitrate-to-ammonia conversion on nanocatalysts: insights from quantum dynamics simulations

Quantum defects in carbon nanotubes as single-photon sources

Theoretical and Experimental Assessment of the Absorption and Dual Emission of Benzobisthiadiazole Conjugated Oligoelectrolyte Probes

Inducing Circular Dichroism in Carbon Nanotubes by Chemical Defects

Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm–Dancoff Method

Challenges and Opportunities for Machine Learning Potentials in Transition Path Sampling: Alanine Dipeptide and Azobenzene Studies

Chiral population analysis: a real space visualization of X-ray circular dichroism

Computational Study of Entangled Two-Photon Absorption in Organic Dyes

Deconstructing Chirality: Probing Local and Nonlocal Effects in Azobenzene Derivatives with X-ray Circular Dichroism

Fluorinated polythiophenes with ester side chains for boosting the V<sub>oc</sub> and efficiency in non-fullerene polymer solar cells

GPU-Accelerated Graph-Based Semiempirical Quantum Chemistry

High-throughput and data-driven search for stable optoelectronic AMSe<sub>3</sub> materials

Multiphysics analysis of mechanical responses in micro-reactors under varied operating conditions

Nonradiative Recombination of Excitons in Periodic Solids: A Case Study of Dion-Jacobson Lead-Halide Perovskite

PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing Units

Collaborators (9)

Dmitri Kilin

YIhan Shao

Peter Bäuerle

Christoph Lienau

YuHuang Wang

Sanghita Sengupta

Svetlana Kilina

Yu Zhang

M. Garavelli

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