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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

226

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Theoretical and Computational Chemistry

Working Paper

Polariton Induced Conical Intersection and Berry Phase

Marwa Farag, Arkajit Mandal, Pengfei Huo

Version 1 posted 01 March 2021

423

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Catalysis

Working Paper

Cavity Catalysis: Modifying Linear Free-energy Relationship under Cooperative Vibrational Strong Coupling

Jino GEORGE, Jyoti Lather, Thabassum Ahammad N. K., Jaibir Singh

Version 1 posted 09 July 2021

542

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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

254

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Theoretical and Computational Chemistry

Working Paper

Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling

Xinyang Li, Arkajit Mandal, Pengfei Huo

Version 1 posted 12 April 2021

360

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Physical Chemistry

Working Paper

Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity

Liangyu Qiu, Arkajit Mandal, Ovishek Morshed, Mahilet T. Meidenbauer, William Girten, Pengfei Huo, A. Nickolas Vamivakas, Todd D. Krauss

Version 2 posted 12 April 2021

613

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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

587

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1

Citations

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

798

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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

621

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Physical Chemistry

Working Paper

Quantum Control of Ultrafast Internal Conversion using Nano-Confined Virtual Photons

Aleksandr Avramenko, Aaron Rury

Version 1 posted 29 November 2019

529

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22 results in Polariton Chemistry in Keywords: Polariton Chemistry

Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models

Polariton Induced Conical Intersection and Berry Phase

Cavity Catalysis: Modifying Linear Free-energy Relationship under Cooperative Vibrational Strong Coupling

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

Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling

Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity

Resonance Theory of Vibrational Strong Couplings in Polariton Chemistry

Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics

Ring-Polymer Quantization of Photon Field in Polariton Chemistry

Quantum Control of Ultrafast Internal Conversion using Nano-Confined Virtual Photons

22 results in Keywords: Polariton Chemistry