Stochastic Chebyshev Approach Toward the Simulation of Linear Spectroscopy in Many-molecule Quantum Electrodynamics
Braden M. Weight* and Pengfei Huo*
22
Developing an Ab Initio Description of the Properties and Dynamics of Molecular Polaritons
Braden M. Weight* and Pengfei Huo*, Invited WIRES Comp. Mol. Sci. Perspective Article
Preprints
23
Investigating Cavity Quantum Electrodynamics-Enabled Endo/Exo-Selectivities in a Diels-Alder Reaction
Jialong Wang, Braden M. Weight*, and Pengfei Huo*
21
Ab initio Spin-Mapping Non-adiabatic Dynamics Simulations of Photochemistry
Braden M. Weight*, Deping Hu, Arkajit Mandal, and Pengfei Huo*
20
Cavity-mediated Selective Bromination of Nitrobenzene: Changing Ground State Nucleophilicity
Braden M. Weight*, Daniel J. Weix, Zachary J. Tonzetich, Todd D. Krauss, and Pengfei huo*
Publications
19
Reciprocal Asymptotically Decoupled Hamiltonian of Cavity Quantum Electrodynamics
Michael A.D. Taylor*, Braden M. Weight*, and Pengfei Huo, Phys. Rev. B109, 104305 (2024)
18
A Diffusion Quantum Monte Carlo Approach to the Polaritonic Ground State
Braden M. Weight*, Sergei Tretiak, and Yu Zhang* Phys. Rev. A Phys. Rev. A 109, 032804 (2024)
17
Optically Active Defects in Carbon Nanotubes via Chlorination: Computational Insights
Braden M. Weight, Brenden J. Gifford, Grace Tiffany, Elva Henderson, Deyan Mihaylov, Dmitri Kilin, and Svetlana Kilina* RSC Appl. Interfaces, 2024, Advance Article
16
Theory and Modeling of Light-matter Interactions in Chemistry: Current and Future
Braden M. Weight, Xinyang Li, and Yu Zhang*, Phys. Chem. Chem. Phys., Invited Perspective, 2023
15
Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics
Arkajit Mandal*‡, Michael Taylor‡, Braden M. Weight‡, Eric Koessler‡, Xinyang Li, and Pengfei Huo* Chem. Rev. 2023, 2023, 123, 16, 9786-9879
14
Investigating Molecular Exciton Polaritons Using Ab Initio Cavity Quantum Electrodynamics
Braden M. Weight*, Todd D. Krauss, Pengfei Huo* J. Phys. Chem. Lett. 2023, 14, 25, 5901-5913
13
On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects
Braden M. Weight, Andrew E. Sifain, Brendan J. Gifford, Han Htoon, and Sergei Tretiak* J. Phys. Chem. Lett. 2023, 14, 5, 1182-1191
12
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes
Braden M. Weight, Ming Zheng, and Sergei Tretiak* J. Phys. Chem. Lett. 2023, 14, 5, 1182-1191
11
Quasi-diabatic propagation scheme for simulating polariton chemistry
Deping Hu*, Arkajit Mandal, Braden M. Weight, and Pengfei Huo* J. Chem. Phys. 157, 194109 (2022)
10
Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes
Yu Zheng, Yulun Han, Braden M. Weight, Zhiwei Lin, Brendan J. Gifford, Ming Zheng, Dmitri Kilin, Svetlana Kilina, Stephen K. Doorn*, Han Htoon*, and Sergei Tretiak* Nat. Commun. 13, 4439 (2022)
9
Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties
Shahriar N. Khan, Braden M. Weight, Brendan J. Gifford, Sergei Tretiak*, and Alan Bishop* J. Phys. Chem. Lett. 2022, 13, 25, 5801-5807
8
Ab initio symmetric quasi-classical approach to investigate molecular Tully models
Braden M. Weight, Arkajit Mandal, and Pengfei Huo* J. Chem. Phys. 155, 084106 (2021)
7
Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights
Braden M. Weight, Andrew E. Sifain, Brendan J. Gifford, Dmitri Kilin, Svetlana Kilina, and Sergei Tretiak* J. Phys. Chem. Lett. 2021, 12, 32, 7846-7853
6
Interplay between Electrostatic Properties of Molecular Adducts and Their Positions at Carbon Nanotubes
Braden M. Weight, Brendan J. Gifford, Sergei Tretiak, and Svetlana Kilina* J. Phys. Chem. C 2021, 125, 8, 4785-4793
5
Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes
Yu Zheng, Braden M. Weight, Andrew C. Jones, Vigneshwaran Chandrasekaran, Brendan J. Gifford, Sergei Tretiak, Stephen K. Doorn*, and Han Htoon* ACS Nano 2021, 15, 1, 923-933
4
Hidden Fine Structure of Quantum Defects Revealed by Single Carbon Nanotube Magneto-Photoluminescence
Younghee Kim, Serguei V. Goupalov, Braden M. Weight, Brendan J. Gifford, Xiaowei He, Avishek Saha, Mijin Kim, Geyou Ao, YuHuang Wang, Ming Zheng, Sergei Tretiak, Stephen K. Doorn*, and Han Htoon* ACS Nano 2020, 14, 3, 3451-3460
3
Mod(n-m,3) Dependence of Defect-State Emission Bands in Aryl-Functionalized Carbon Nanotubes
Brendan J. Gifford, Avishek Saha, Braden M. Weight, Xiaowei He, Geyou Ao, Ming Zheng, Han Htoon, Svetlana Kilina, Stephen K. Doorn*, and Sergei Tretiak* Nano Lett. 2019, 19, 12, 8503-8509
2
Interplay between Conjugated Backbone Units and Side Alkyl Groups in Chirality Sensitive Interactions of Single Walled Carbon Nanotubes with Polyfluorenes
Brendan J. Gifford, Braden M. Weight, and Svetlana Kilina* J. Phys. Chem. C 2019, 123, 40, 24807-24817
1
Structure and stability of charged colloid-nanoparticle mixtures
Braden M. Weight and Alan R. Denton* J. Chem. Phys. 148, 114904 (2018)