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Pengfei Huo, Ph.D. - Publications

Affiliations: 
2011-2011 Boston University, Boston, MA, United States 
 2012-2015 California Institute of Technology, Pasadena, CA 
 2015- University of Rochester, Rochester, NY 
Area:
theoretical and computational chemistry
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55 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Morshed O, Amin M, Cogan NMB, Koessler ER, Collison R, Tumiel TM, Girten W, Awan F, Mathis L, Huo P, Vamivakas AN, Odom TW, Krauss TD. Room-temperature strong coupling between CdSe nanoplatelets and a metal-DBR Fabry-Pérot cavity. The Journal of Chemical Physics. 161. PMID 38953450 DOI: 10.1063/5.0210700  0.384
2024 Weight BM, Weix DJ, Tonzetich ZJ, Krauss TD, Huo P. Cavity Quantum Electrodynamics Enables - and -Selective Electrophilic Bromination of Nitrobenzene. Journal of the American Chemical Society. PMID 38814893 DOI: 10.1021/jacs.4c04045  0.371
2024 Freire-Fernández F, Sinai NG, Hui Tan MJ, Park SM, Koessler ER, Krauss T, Huo P, Odom TW. Room-Temperature Polariton Lasing from CdSe Core-Only Nanoplatelets. Acs Nano. PMID 38808728 DOI: 10.1021/acsnano.4c03164  0.409
2023 Hu D, Ying W, Huo P. Resonance Enhancement of Vibrational Polariton Chemistry Obtained from the Mixed Quantum-Classical Dynamics Simulations. The Journal of Physical Chemistry Letters. 11208-11216. PMID 38055902 DOI: 10.1021/acs.jpclett.3c02985  0.496
2023 Mondal ME, Koessler ER, Provazza J, Vamivakas AN, Cundiff ST, Krauss TD, Huo P. Quantum dynamics simulations of the 2D spectroscopy for exciton polaritons. The Journal of Chemical Physics. 159. PMID 37655761 DOI: 10.1063/5.0166188  0.531
2023 Ying W, Huo P. Resonance theory and quantum dynamics simulations of vibrational polariton chemistry. The Journal of Chemical Physics. 159. PMID 37606332 DOI: 10.1063/5.0159791  0.386
2023 Mandal A, Taylor MAD, Weight BM, Koessler ER, Li X, Huo P. Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics. Chemical Reviews. 123: 9786-9879. PMID 37552606 DOI: 10.1021/acs.chemrev.2c00855  0.48
2023 Mandal A, Taylor MAD, Huo P. Theory for Cavity-Modified Ground-State Reactivities via Electron-Photon Interactions. The Journal of Physical Chemistry. A. PMID 37499090 DOI: 10.1021/acs.jpca.3c01421  0.37
2023 Weight BM, Krauss TD, Huo P. Investigating Molecular Exciton Polaritons Using Cavity Quantum Electrodynamics. The Journal of Physical Chemistry Letters. 14: 5901-5913. PMID 37343178 DOI: 10.1021/acs.jpclett.3c01294  0.487
2023 Hu D, Huo P. Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models. Journal of Chemical Theory and Computation. PMID 37000936 DOI: 10.1021/acs.jctc.3c00137  0.57
2023 Bossion D, Chowdhury SN, Huo P. Non-adiabatic ring polymer molecular dynamics in the phase space of the SU(N) Lie group. The Journal of Chemical Physics. 158: 044123. PMID 36725494 DOI: 10.1063/5.0133970  0.358
2022 Hu D, Mandal A, Weight BM, Huo P. Quasi-diabatic propagation scheme for simulating polariton chemistry. The Journal of Chemical Physics. 157: 194109. PMID 36414442 DOI: 10.1063/5.0127118  0.832
2022 Zhou W, Hu D, Mandal A, Huo P. Nuclear gradient expressions for molecular cavity quantum electrodynamics simulations using mixed quantum-classical methods. The Journal of Chemical Physics. 157: 104118. PMID 36109223 DOI: 10.1063/5.0109395  0.816
2022 Bossion D, Ying W, Chowdhury SN, Huo P. Non-adiabatic mapping dynamics in the phase space of the SU(N) Lie group. The Journal of Chemical Physics. 157: 084105. PMID 36049982 DOI: 10.1063/5.0094893  0.348
2022 Koessler ER, Mandal A, Huo P. Incorporating Lindblad decay dynamics into mixed quantum-classical simulations. The Journal of Chemical Physics. 157: 064101. PMID 35963729 DOI: 10.1063/5.0099922  0.807
2022 Taylor MAD, Mandal A, Huo P. Resolving ambiguities of the mode truncation in cavity quantum electrodynamics. Optics Letters. 47: 1446-1449. PMID 35290335 DOI: 10.1364/OL.450228  0.76
2022 Mandal A, Li X, Huo P. Theory of vibrational polariton chemistry in the collective coupling regime. The Journal of Chemical Physics. 156: 014101. PMID 34998324 DOI: 10.1063/5.0074106  0.749
2021 Weight BM, Mandal A, Huo P. Ab initio symmetric quasi-classical approach to investigate molecular Tully models. The Journal of Chemical Physics. 155: 084106. PMID 34470343 DOI: 10.1063/5.0061934  0.831
2021 Farag MH, Mandal A, Huo P. Polariton induced conical intersection and berry phase. Physical Chemistry Chemical Physics : Pccp. PMID 34328152 DOI: 10.1039/d1cp00943e  0.78
2021 Li X, Mandal A, Huo P. Theory of Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling. The Journal of Physical Chemistry Letters. 6974-6982. PMID 34283619 DOI: 10.1021/acs.jpclett.1c01847  0.312
2021 Li X, Mandal A, Huo P. Theory of Mode-Selective Chemistry through Polaritonic Vibrational Strong Coupling. The Journal of Physical Chemistry Letters. 6974-6982. PMID 34283619 DOI: 10.1021/acs.jpclett.1c01847  0.744
2021 Li X, Huo P. Investigating Tunneling-Controlled Chemical Reactions through Ab Initio Ring Polymer Molecular Dynamics. The Journal of Physical Chemistry Letters. 12: 6714-6721. PMID 34261316 DOI: 10.1021/acs.jpclett.1c01630  0.364
2021 Li X, Huo P. Investigating Tunneling-Controlled Chemical Reactions through Ab Initio Ring Polymer Molecular Dynamics. The Journal of Physical Chemistry Letters. 12: 6714-6721. PMID 34261316 DOI: 10.1021/acs.jpclett.1c01630  0.364
2021 Bossion D, Chowdhury SN, Huo P. Non-adiabatic ring polymer molecular dynamics with spin mapping variables. The Journal of Chemical Physics. 154: 184106. PMID 34241014 DOI: 10.1063/5.0051456  0.311
2021 Qiu L, Mandal A, Morshed O, Meidenbauer MT, Girten W, Huo P, Vamivakas AN, Krauss TD. Molecular Polaritons Generated from Strong Coupling between CdSe Nanoplatelets and a Dielectric Optical Cavity. The Journal of Physical Chemistry Letters. 5030-5038. PMID 34018749 DOI: 10.1021/acs.jpclett.1c01104  0.812
2021 Chowdhury SN, Huo P. Non-adiabatic Matsubara dynamics and non-adiabatic ring-polymer molecular dynamics. The Journal of Chemical Physics. 154: 124124. PMID 33810665 DOI: 10.1063/5.0042136  0.501
2021 Li X, Mandal A, Huo P. Cavity frequency-dependent theory for vibrational polariton chemistry. Nature Communications. 12: 1315. PMID 33637720 DOI: 10.1038/s41467-021-21610-9  0.764
2021 Chowdhury SN, Mandal A, Huo P. Ring polymer quantization of the photon field in polariton chemistry. The Journal of Chemical Physics. 154: 044109. PMID 33514102 DOI: 10.1063/5.0038330  0.783
2021 Yamijala SSRKC, Huo P. Direct Nonadiabatic Simulations of the Photoinduced Charge Transfer Dynamics. The Journal of Physical Chemistry. A. PMID 33432807 DOI: 10.1021/acs.jpca.0c10151  0.474
2020 Taylor MAD, Mandal A, Zhou W, Huo P. Resolution of Gauge Ambiguities in Molecular Cavity Quantum Electrodynamics. Physical Review Letters. 125: 123602. PMID 33016745 DOI: 10.1103/PhysRevLett.125.123602  0.799
2020 Mandal A, Montillo Vega S, Huo P. Polarized Fock States and the Dynamical Casimir Effect in Molecular Cavity Quantum Electrodynamics. The Journal of Physical Chemistry Letters. PMID 32991814 DOI: 10.1021/acs.jpclett.0c02399  0.819
2020 Mandal A, Krauss TD, Huo P. Polariton Mediated Electron Transfer via Cavity Quantum Electrodynamics. The Journal of Physical Chemistry. B. PMID 32589846 DOI: 10.1021/Acs.Jpcb.0C03227  0.815
2019 Zhou W, Mandal A, Huo P. Quasi-Diabatic Scheme for Non-adiabatic On-the-Fly Simulations. The Journal of Physical Chemistry Letters. PMID 31665889 DOI: 10.1021/Acs.Jpclett.9B02747  0.817
2019 Mandal A, Huo P. Investigating New Reactivities Enabled by Polariton Photochemistry. The Journal of Physical Chemistry Letters. 5519-5529. PMID 31475529 DOI: 10.1021/Acs.Jpclett.9B01599  0.825
2019 Chowdhury SN, Huo P. State dependent ring polymer molecular dynamics for investigating excited nonadiabatic dynamics. The Journal of Chemical Physics. 150: 244102. PMID 31255077 DOI: 10.1063/1.5096276  0.55
2019 Mandal A, Sandoval JS, Shakib FA, Huo P. Quasi Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction. The Journal of Physical Chemistry. A. PMID 30810319 DOI: 10.1021/Acs.Jpca.9B00077  0.826
2018 Sandoval C JS, Mandal A, Huo P. Symmetric quasi-classical dynamics with quasi-diabatic propagation scheme. The Journal of Chemical Physics. 149: 044115. PMID 30068182 DOI: 10.1063/1.5036787  0.838
2018 Mandal A, Shakib FA, Huo P. Investigating photoinduced proton coupled electron transfer reaction using quasi diabatic dynamics propagation. The Journal of Chemical Physics. 148: 244102. PMID 29960318 DOI: 10.1063/1.5030634  0.853
2018 Mandal A, Yamijala SS, Huo P. Quasi Diabatic Representation for Nonadiabatic Dynamics Propagation. Journal of Chemical Theory and Computation. PMID 29489359 DOI: 10.1021/Acs.Jctc.7B01178  0.808
2017 Chowdhury SN, Huo P. Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations. The Journal of Chemical Physics. 147: 214109. PMID 29221374 DOI: 10.1063/1.4995616  0.553
2017 Shakib FA, Huo P. Ring Polymer Surface Hopping: Incorporating Nuclear Quantum Effects into Nonadiabatic Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters. 3073-3080. PMID 28629220 DOI: 10.1021/Acs.Jpclett.7B01343  0.765
2017 Castellanos MA, Huo P. Enhancing Singlet-Fission Dynamics by Suppressing Destructive Interference between Charge-Transfer Pathways. The Journal of Physical Chemistry Letters. PMID 28520444 DOI: 10.1021/Acs.Jpclett.7B00972  0.467
2016 Lee MK, Huo P, Coker DF. Semiclassical Path Integral Dynamics: Photosynthetic Energy Transfer with Realistic Environment Interactions. Annual Review of Physical Chemistry. PMID 27090842 DOI: 10.1146/Annurev-Physchem-040215-112252  0.708
2016 Huo P, Uyeda C, Goodpaster JD, Peters JC, Miller TF. Breaking the Correlation between Energy Costs and Kinetic Barriers in Hydrogen Evolution via a Cobalt Pyridine-Diimine-Dioxime Catalyst Acs Catalysis. 6: 6114-6123. DOI: 10.1021/Acscatal.6B01387  0.321
2015 Huo P, Miller Iii TF. Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems. Physical Chemistry Chemical Physics : Pccp. PMID 26073739 DOI: 10.1039/C5Cp02517F  0.469
2015 Ma C, Zhou M, Wu D, Feng M, Liu X, Huo P, Shi W, Ma Z, Yan Y. One-step hydrothermal synthesis of cobalt and potassium codoped CdSe quantum dots with high visible light photocatalytic activity Crystengcomm. 17: 1701-1709. DOI: 10.1039/C4Ce02414A  0.398
2013 Huo P, Miller TF, Coker DF. Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics. The Journal of Chemical Physics. 139: 151103. PMID 24160492 DOI: 10.1063/1.4826163  0.695
2012 Huo P, Coker DF. Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation. The Journal of Chemical Physics. 137: 22A535. PMID 23249072 DOI: 10.1063/1.4748316  0.735
2012 Huo P, Coker DF. Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems. The Journal of Chemical Physics. 136: 115102. PMID 22443796 DOI: 10.1063/1.3693019  0.692
2012 Huo P, Coker DF. Semi-classical path integral non-adiabatic dynamics: A partial linearized classical mapping Hamiltonian approach Molecular Physics. 110: 1035-1052. DOI: 10.1080/00268976.2012.684896  0.758
2011 Huo P, Coker DF. Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution. The Journal of Chemical Physics. 135: 201101. PMID 22128918 DOI: 10.1063/1.3664763  0.779
2011 Moix J, Wu J, Huo P, Coker D, Cao J. Efficient energy transfer in light-harvesting systems, III: The influence of the eighth bacteriochlorophyll on the dynamics and efficiency in FMO Journal of Physical Chemistry Letters. 2: 3045-3052. DOI: 10.1021/Jz201259V  0.608
2011 Huo P, Coker DF. Theoretical study of coherent excitation energy transfer in cryptophyte phycocyanin 645 at physiological temperature Journal of Physical Chemistry Letters. 2: 825-833. DOI: 10.1021/Jz200301J  0.659
2010 Huo P, Coker DF. Iterative linearized density matrix propagation for modeling coherent excitation energy transfer in photosynthetic light harvesting. The Journal of Chemical Physics. 133: 184108. PMID 21073214 DOI: 10.1063/1.3498901  0.711
2010 Huo P, Bonella S, Chen L, Coker DF. Linearized approximations for condensed phase non-adiabatic dynamics: Multi-layered baths and Brownian dynamics implementation Chemical Physics. 370: 87-97. DOI: 10.1016/J.Chemphys.2010.02.021  0.807
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