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Theoretical and Computational Chemistry

Working Paper

Ring-Polymer Quantization of Photon Field in Polariton Chemistry

Sutirtha N. Chowdhury, Arkajit Mandal, Pengfei Huo

Version 1 posted 13 October 2020

636

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Theoretical and Computational Chemistry

Working Paper

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

Arkajit Mandal, Todd D. Krauss, Pengfei Huo

Version 1 posted 16 March 2020

810

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Theoretical and Computational Chemistry

Working Paper

Resonance Theory of Vibrational Strong Couplings in Polariton Chemistry

Xinyang Li, Arkajit Mandal, Pengfei Huo

Version 1 posted 04 September 2020

609

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using Mixed Quantum-Classical Methods

Wanghuai Zhou, Deping Hu, Arkajit Mandal, Pengfei Huo

Version 1 posted 18 July 2022

274

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Theoretical and Computational Chemistry

Working Paper

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

Deping Hu, Pengfei Huo

Version 1 posted 02 February 2023

256

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Physical Chemistry

Working Paper

Multiphoton Excitation of Organic Molecules in a Cavity – Superradiance as a Measure of Coherence

Inga Ulusoy, Johana A. Gomez, Oriol Vendrell

Version 1 posted 23 October 2020

339

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Theoretical and Computational Chemistry

Working Paper

Incorporating Lindblad Decay Dynamics into Mixed Quantum-Classical Simulations

Eric Koessler, Arkajit Mandal, Pengfei Huo

Version 1 posted 20 May 2022

442

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Theoretical and Computational Chemistry

Working Paper

Theory of Resonance Suppression in Vibrational Polariton Chemistry

Sebastian Montillo Vega, Wenxiang Ying, Pengfei Huo

Version 1 posted 16 May 2024

391

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1

Citations

Physical Chemistry

Working Paper

Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling

Ruby Manderna, Nam Vu, Jonathan Foley

Version 3 posted 25 July 2024

376

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Theoretical and Computational Chemistry

Working Paper

Insights into the mechanisms of optical cavity-modified ground-state chemical reactions

Yaling Ke, Jeremy Richardson

Version 2 posted 16 May 2024

485

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Refine Search

22 results in Polariton chemistry in Keywords: Polariton chemistry

Ring-Polymer Quantization of Photon Field in Polariton Chemistry

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

Resonance Theory of Vibrational Strong Couplings in Polariton Chemistry

Nuclear Gradient Expressions for Molecular Cavity Quantum Electrodynamics Simulations using Mixed Quantum-Classical Methods

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

Multiphoton Excitation of Organic Molecules in a Cavity – Superradiance as a Measure of Coherence

Incorporating Lindblad Decay Dynamics into Mixed Quantum-Classical Simulations

Theory of Resonance Suppression in Vibrational Polariton Chemistry

Comparing parameterized and self-consistent approaches to ab initio cavity quantum electrodynamics for electronic strong coupling

Insights into the mechanisms of optical cavity-modified ground-state chemical reactions

22 results in Keywords: Polariton chemistry