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Theoretical and Computational Chemistry

Review

Ab Initio Approaches to Simulate Molecular Polaritons: Properties and Quantum Dynamics

Braden Weight, Pengfei Huo

Version 1 posted 03 October 2024

137

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Theoretical and Computational Chemistry

Working Paper

Investigating Cavity Quantum Electrodynamics-Enabled Endo/Exo- Selectivities in a Diels-Alder Reaction

Jialong Wang, Braden Weight, Pengfei Huo

Version 3 posted 27 June 2024

283

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Theoretical and Computational Chemistry

Working Paper

Cavity Quantum Electrodynamics Enables para- and ortho- Bromination of Nitrobenzene

Braden Weight, Daniel Weix, Zachary Tonzetich, Todd Krauss, Pengfei Huo

Version 2 posted 25 March 2024

672

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Theoretical and Computational Chemistry

Working Paper

Ab initio Spin-Mapping Non-adiabatic Dynamics Simulations of Photochemistry

Braden Weight, Arkajit Mandal, Deping Hu, Pengfei Huo

Version 2 posted 27 June 2024

276

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Theoretical and Computational Chemistry

Review

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

Arkajit Mandal, Michael Taylor, Braden Weight, Eric Koessler, Xinyang Li, Pengfei Huo

Version 1 posted 07 December 2022

1,069

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13

Citations

Theoretical and Computational Chemistry

Working Paper

Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes

Braden Weight, Ming Zheng, Sergei Tretiak

Version 1 posted 24 November 2022

217

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1

Citations

Theoretical and Computational Chemistry

Working Paper

On-the-fly Non-adiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

Braden Weight, Andrew Sifain, Brendan Gifford, Han Htoon, Sergei Tretiak

Version 1 posted 15 June 2022

292

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Investigating Molecular Exciton-Polaritons using Many-body Electronic Structure Theory with Cavity Quantum Electrodynamics

Braden Weight, Todd Krauss, Pengfei Huo

Version 1 posted 09 January 2023

394

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Refine Search

8 results in Braden Weight in Authors: Braden Weight

Ab Initio Approaches to Simulate Molecular Polaritons: Properties and Quantum Dynamics

Investigating Cavity Quantum Electrodynamics-Enabled Endo/Exo- Selectivities in a Diels-Alder Reaction

Cavity Quantum Electrodynamics Enables para- and ortho- Bromination of Nitrobenzene

Ab initio Spin-Mapping Non-adiabatic Dynamics Simulations of Photochemistry

Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics

Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes

On-the-fly Non-adiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

Investigating Molecular Exciton-Polaritons using Many-body Electronic Structure Theory with Cavity Quantum Electrodynamics

8 results in Authors: Braden Weight