个人简介
Positions:
2015-present : Distinguished Professor
2001-present : Professor of Chemistry, Department of Chemistry and Chemical Biology, University of New Mexico
2010-present : Professor of Physics and Astronomy, Department of Physics and Astronomy, University of New Mexico
1998-2001 : Associate Professor of Chemistry, Department of Chemistry, University of New Mexico
1995-1998 : Associate Professor of Chemistry, Department of Chemistry, University of Toledo
1990-1995 : Assistant Professor of Chemistry, Department of Chemistry, University of Toledo
1988-1990 : Postdoctoral Fellow (with Professor George C. Schatz), Department of Chemistry, Northwestern University
1985-1988 : Ph.D. in Theoretical Chemistry (with Professor John N. Murrell, FRS), School of Chemistry and Molecular Sciences, University of Sussex, Brighton, Sussex, U.K.
1982-1985 : M.Sc. in Theoretical Chemistry, Department of Chemistry, Sichuan University, Chengdu, Sichuan, China
1978-1982 : B.Sc. in Chemistry Department of Basic Sciences, Chengdu Institute of Electronic Engineering, Chengdu, Sichuan, China.
Professional Experience:
Overseas Research Student Award, Sussex University, U.K., 1986-1988
Visiting Research Student, University of Crete, Crete, Greece, 1988
Visiting Associate/Lecturer, California Institute of Technology, (Professor Ahmed Zewail) 1993
Dean's Merit Award, College of Arts and Sciences, University of Toledo, 1993
Dean's Merit Award, College of Arts and Sciences, University of Toledo, 1994
Dion D. Raftopolous Award for Outstanding Research, University of Toledo Chapter of Sigma Xi Society, 1995
Session Chairman, SPIE conference, San Diego, 1995
Outstanding Faculty Research Award, University of Toledo, 1996
Dean's Merit Award, College of Arts and Sciences, University of Toledo, 1996
Session Chairman, DMC Conference, Gull Lake, Minnesota, 1997
Advisory board, Institute of Theoretical and Computational Chemistry, Nanjing University, China, since 2001
Editorial board, Journal of Theoretical and Computational Chemistry, since 2002
Advisory board, Chinese American Chemistry Professor Association, since 2002
Symposium organizer, 225th national ACS meeting, New Orleans, 2003
Guest Editor, Special Issue of Journal of Theoretical and Computational Chemistry, 2003
Conference co-organizer, the 4th Conference of Worldwide Young Chinese Chemists, 2004
Editorial board, Theoretical Chemistry Accounts, since 2010
Anniversary Editor, Theoretical Chemistry Accounts, 2011
Chair, Workshop on Quantum Reactive Scattering, Santa Fe, 2011
Vice Chair, Conference on Dynamics of Molecular Collisions, Snow Bird, 2011
Chair, Conference on Dynamics of Molecular Collisions, Granlibakken, 2013
Visiting Lecturer of Chemical Research Promotion Center, Taiwan, 2014
University of New Mexico College of Arts and Sciences Teaching Excellence Award, 2014
Guest Editor, Special Collection for Prof. G. Yan, Theoretical Chemistry Accounts, 2014
Guest Editor, 50 Year of Chemical Reaction Dynamics Special Issue of J. Phys. Chem. A, 2015
Director, Mesilla Chemistry Workshop, since 2015
Symposium organizer, Pacifichem, 2015
Member, Editorial Advisory Board, J. Phys. Chem. A, 2016
Senior Editor, J. Phys. Chem. A/B/C, since 2016
Guest Editor, Proc. Roy. Soc. (J. N. Murrell special issue), 2016 – 2017
Vice Chair, Gordon Research Conference on Molecular Interaction and Dynamics, 2018
Member, Nominating Committee, Division of Chemical Physics, American Physical Society, 2019-2010
Chair, Gordon Research Conference on Molecular Interaction and Dynamics, 2020 (postponed to 2022)
Humboldt Research Award, 2019-2020
Member, Board of Reviewing Editors, Science, 2020-2022.
Guest Editor, Special Topic Issue on Quantum Dynamics with Ab Initio Potentials, J. Chem. Phys., 2020-2021
Alternate Councilor, ACS PHYS division, 2020-2022
Board of Editors, Molecules, since 2021
Symposium organizer, 2021 March APS National meeting
Symposium organizer, 2021 Spring National ACS Meeting
Scientific committee, 2024 Faraday Discussion on New Directions in Molecular Scattering
近期论文
查看导师新发文章
（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）
D. Maffucci, H. Guo, N. S. Shuman, S. G. Ard, A. A. Viggiano, and J. Troe, Int. J. Mass. Spectro., 460, 116494 (2021), Collisional stabilization of ion-molecule association complexes in He, H2, or N2 buffer gases.
J. Liu, K. A. Schleyer, T. L. Bryan, C. Xie, G. Seabra, Y. Xu, A. Kafle, C. Cui, Y. Wang, K. Yin, B. Fetrow, P. K. P. Henderson, P. Z. Fatland, J. Liu, C. Li, H. Guo, and L. Cui, Chem. Sci., 12, 239 (2021), Ultrasensitive small molecule fluorogenic probe for human heparinase.
T. Yang, A. Li, G. K. Chen, Q. Yao, A. G. Suits, H. Guo, E. R. Hudson, and W. C. Campbell, Sci. Adv., 7, eabe4080 (2021) Isomer-specific kinetics of the C+ + H2O reaction at the temperature of interstellar clouds.
A. K. Datye and H. Guo, Nat. Commun., 12, 895 (2021), Single atom catalysis: Ready for a transition from academic curiosity to industrial applications.
Q. Chen, X. Hu, H. Guo and D. Xie, Phys. Chem. Chem. Phys., 23, 3300 (2021), Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: Assessing experimental uncertainties. (PCCP hot article)
Y. Wang, R. Nieman, T. K. Minton, and H. Guo, J. Chem. Phys., 154, 074708 (2021), Insights into adsorption, diffusion, and reaction of atomic nitrogen on highly oriented pyrolytic graphite surface.
Q. Chen, X. Hu, H. Guo and D. Xie, J. Phys. Chem. Lett., 12, 1822 (2021), Insights into the formation of hydroxyl radicals with non-thermal vibrational excitation in the Meinel airglow.
X. Zhou, Y. Zhang, H. Guo, B. Jiang, Phys. Chem. Chem. Phys., 23, 4372 (2021), Bridging the structure gap in heterogeneous catalysis: The impact of defects in dissociative chemisorption of methane on Ir surfaces.
A. Nandi, P. Zhang, J. Chen, H. Guo J. M. Bowman, Nat. Chem., 13, 249 (2021), Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl.
Y. Wang, Y. Guan, H. Guo, D. R. Yarkony, J. Chem. Phys., 154, 094121 (2021), Enabling complete multichannel nonadiabatics: A global representation of the two-channel coupled, 1,21A and 13A states of NH3 using neural networks.
Z. Varga, Y. Liu, J. Li, Y. Paukku, H. Guo, and D. G. Truhlar, J. Chem. Phys., 154, 084304 (2021), Potential energy surfaces for high-energy N + O2 collisions.
M. Morita, J. Zuo, H. Guo, and N. Balakrishnan, J. Chem. Phys., 154, 104304 (2021), Rainbow scattering in rotationally inelastic collisions of HCl and H2.
L. Sun, J. Xu, X. Liu, B. Qiao, L. Li, Y. Ren, Q. Wan, J. Lin, S. Lin, X. Wang, H. Guo, and T. Zhang, ACS Catal., 11, 5942 (2021), High efficiency water gas shift reaction catalysis on a-MoC promoted by single atom Ir species.
B. Jayee, R. Nieman, T. K. Minton, W. L. Hase, and H. Guo, J. Phys. Chem. C, (Neumark Festschrift), 128, 9795 (2021), Direct dynamics simulations of hyperthermal O(3P) collisions with pristine and defected graphene.
Y. Liu, M.-G. Hu, M. Nichols, L. Zhu, D. Yang, D. Xie, H. Guo, K.-K. Ni, Nature, 593, 379 (2021), Precision test of statistical dynamics with state-to-state ultracold chemistry.
Y. Lu, S. Zhou, C.-T. Kuo, D. Kunwar, A. S. Hoffman, A. Boubnov, S. Lin, A. K. Datye, H. Guo, A. M. Karim, ACS Catal., 11, 5942 (2011), Unraveling the intermediate reaction complexes and critical role of support-derived oxygen atoms during CO oxidation on single atom Pt/CeO2.
Y. Guan, C. Xie, H. Guo, and D. R. Yarkony, J. Chem. Theo. Comput., 17, 4157 (2021), Enabling unified description of both internal conversion and intersystem crossing in formaldehyde: A global coupled quasi-diabatic Hamiltonian for its S0, S1 and T1 states.
J. Huang, D. Yang, J. Zuo, X. Hu, D. Xie, and H. Guo, J. Phys. Chem. A (JPC 125 year special issue), 125, 6198 (2021), Full-dimensional global potential energy surface for the KRb + KRb K2Rb2* K2 + Rb2 reaction with accurate long-range interactions and quantum statistical calculation of the product state distribution under ultracold conditions.
S. Han, G. Sun, X. Zheng, Y. Song, R. Dawes, D. Xie, J. Zhang, and H. Guo, J. Phys. Chem. Lett., 12, 6582 (2021), Rotational modulation of -state photodissociation of HCO via Renner-Teller nonadiabatic transitions.
D. Yang, D. Xie, and H. Guo, J. Phys. Chem. A (JPC 125 year special issue), 125, 6864 (2021), A time-independent quantum approach to ro-vibrationally inelastic scattering between atoms and triatomic molecules.
K. Gu, F. Wei, Y. Cai, S. Lin and H. Guo, J. Phys. Chem. Lett., 12, 8423 (2021), Dynamics of initial hydrogen spillover from single atom Pt active site to the Cu(111) host surface: The influence of substrate electron-hole pairs.
B. Zhao, S. Han, C. L. Malbon, U. Manthe, D. R. Yarkony, H. Guo, Nat. Chem., 13, 909 (2021), Stereodynamical control of nonadiabatic quench dynamics of OH(A2S+) by H2: Full-dimensional quantum dynamics.
D. Papp, J. Li, H. Guo, G. Czako, J. Chem. Phys., 155, 114303 (2021), Vibrational mode-specificity in the dynamics of the Cl + C2H6 → HCl + C2H5 reaction.
H. Xiong, D. Kunwar, C. E. García-Vargas, G. Canning, D. Jiang, X. I. Pereira-Hernandez, Q. Wan, S. Lin, S. C. Purdy, J. T. Miller, K. Leung, S. S. Chou, H. H. Brongersma, R. ter Veen, H. Guo, Y. Wang, A. K. Datye, Nat. Catal., 4, 830 (2021), Engineering catalyst supports to stabilize 2D Pd metal oxide rafts for water-tolerant methane oxidation.
D. Lu, J. Chen, J. Li, and H. Guo, Phys. Chem. Chem. Phys., 23, 24165 (2021), Vibrationally energy pooling via collisions between asymmetric stretching excited CO2: A quasi-classical trajectory study on an accurate full-dimensional potential energy surface.
J. Zuo, J. F. E. Croft, N. Balakrishnan, H. Guo, J. Chem. Theo. Comput., 17, 6747 (2021), Full-dimensional potential energy surface for ro-vibrationally inelastic scattering between H2 molecules.
Y. Guan, C. Xie, D. R. Yarkony, and H. Guo, Phys. Chem. Chem. Phys. (Perspective and Cover), 23, 24962 (2021), High-fidelity first principles nonadiabaticity: Diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics.
D. Borodin, M. Schwarzer, H. W. Hahn, J. Fingerhut, Y. Wang, D. J. Auerbach, H. Guo, J. Schroeder, T. N. Kitsopoulos and A. M. Wodtke, Mole. Phys. (Juergen Troe Festschrift), 119, 17 (2021), The puzzle of rapid hydrogen oxidation on Pt(111).
X. Zhou, H. Vejayan, R. D. Beck, H. Guo, and B. Jiang, J. Phys. Chem. Lett., 12, 11164 (2021), Infra-red activities of adsorbed species on metal surfaces: The puzzle of adsorbed methyl (CH3).
T. Yang, B. Zhao, G. K. Chen, H. Guo, W. C. Campbell, and E. R. Hudson, New J. Phys., 23, 115004 (2021), Determining reaction pathways at low temperatures by isotopic substitution: The case of BeD+ + H2O.
C. D. Foley, C. Xie, H. Guo and A. G. Suits, Science, 374, 1122 (2021), Orbiting resonances in formaldehyde reveal coupling of roaming, radical and molecular channels.
C. Xie, Y. Guan, D. R. Yarkony, and H. Guo, Mole. Phys. (John Stanton Festschrift), 21-22, e1918775, 2021, Vibrational energy levels of the S0 and S1 states of formaldehyde using an accurate ab initio based global diabatic potential energy matrix.
B. Buren, M. Chen, Z. Sun, and H. Guo, J. Phys. Chem. A, 125, 10111 (2021), Wave packet approach to cold nonadiabatic reactive scattering: An interaction-asymptotic-long-range region method.
F. Wei, E. W. F. Smeets, J. Voss, G.-J. Kroes, S. Lin, and H. Guo, Chin. J. Chem. Phys. (J. Z. H. Zhang Festschrift), 34, 883 (2021), Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface.
C. Hu, Q. Lin, H. Guo, and B. Jiang, Chem. Phys. (Peter Saalfrank Festschrift), 554, 111423 (2022), Influence of supercell size on gas-surface scattering: A case study of CO scattering from Au(111).
C. Amarasinghe, C. A. Perera, J. Zuo, M. Besemer, A. van der Avoird, G. C. Groenenboom, H. Guo and A. G. Suits, Nat. Sci., e20210074 (2022), Collision induced spin-orbit relaxation of highly vibrationally excited NO near 1 K.
D. Yang, D. Xie, and H. Guo, J. Phys. Chem. Lett., 13, 1777 (2022), Stereodynamical control of cold collisions of polyatomic molecules with atoms.
Q. Chen, X. Hu, D. Xie, and H. Guo, J. Phys. Chem. Lett., 13, 1872 (2022), Reaction pathway control via reactant vibrational excitation and impact on product vibrational distributions: The O + HO2 → OH + O2 atmospheric reaction.
H. Li, Q. Wan, C. Du, Q. Liu, J. Qi, X. Ding, S. Wang, S. Wan, J. Lin, C. Tian, L. Li, T. Peng, W. Zhao, H. Zhang, J. Huang, X. Zhang, Q. Gu, B. Yang, H. Guo, S. Lin, A. K. Datye, Y. Wang, and H. Xiong, Chem, 8, 731 (2022), Vapor-phase self-assembly for generating single atom catalysts with weak metal-support interaction.
X. Zhou, G. Meng, H. Guo, B. Jiang, J. Phys. Chem. Lett. (Perspective), 13, 3450 (2022), First-principles insights into adiabatic and nonadiabatic vibrational energy transfer dynamics during molecule-surface scattering: The importance of surface reactivity.
S. Zhou, Q. Wan, S. Lin and H. Guo, Phys. Chem. Chem. Phys., 24 11295 (2022), Theoretical insights into acetylene hydrogenation on bare and Ni doped CeO2(110).
S. Han, A. G. S. de Oliveira Filho, Y. Shu, D. G. Truhlar, H. Guo, ChemPhysChem, 23, e202200039, 2022, Semiclassical trajectory studies of reactive and nonreactive scattering of OH(A2S+) by H2, based on an improved full-dimensional ab initio diabatic potential energy matrix.
R. Yin, B. Jiang, and H. Guo, ACS Catal., 12, 6486, 2022, Mechanism and dynamics of CO2 formation in formic acid decomposition on Pt surfaces.
C. A. Perera, J. Zuo, H. Guo, and A. G. Suits, J. Phys. Chem. A (Paul Houston Festschrift), 126, 3338 (2022), Differential cross sections for cold, state-to-state spin-orbit changing collisions of NO(v = 10) with neon.
D. Yang, L. Liu, D. Xie, H. Guo, Phys. Chem. Chem. Phys., 24, 13542, 2022, Full-dimensional quantum studies of vibrational energy transfer dynamics between H2O and Ar: Theory assessing experiment.
Q. Wan, S. Lin, and H. Guo, Mole., 27, 3734, 2022, Frustrated Lewis acid-base pairs in heterogeneous catalysis: Theoretical insights.
W. Jin, Y. Wang, T. Liu, C. Ding, and H. Guo, Appl. Surf. Sci., 599, 154024 (2022), Chemisorption and dissociation of CO2 on flat and stepped transition metal surfaces.
Y. Wang, H. Guo, and D. R. Yarkony, Phys. Chem. Chem. Phys., 24, 15060 (2022), Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin–orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH3(A) leading to the NH(X3Σ-, a1Δ)+H2 channel.
D. Lu, D. G. Truhlar, and H. Guo, J. Phys. Chem. A., (Mike Berman Festschrift), 126, 4277 (2022), Reactive and nonreactive collisions between NO() and O(3P) under hyperthermal conditions.
D. Borodin, N. Hertl, G. B. Park, J. Fingerhut, M. Schwarzer, Y. Wang, J. Zuo, F. Nitz, G. Skoulatakis, A. Kandratsenka, D. J. Auerbach, D. Schwarzer, H. Guo, T. N. Kitsopoulos and A. M. Wodtke, Science, 377, 394 (2022), Influence of electronic and nuclear quantum effects on the rate of thermal reactions at metal surfaces.
S. Han, B. Zhao, R. Conte, C. L. Malbon, J. M. Bowman, D. R. Yarkony, and H. Guo, J. Phys. Chem. A (Marsha Lester Festschrift), 126, 6944 (2022), Nonadiabatic reactive quenching of OH(A2S+) by H2: Origin of high vibrational excitation in the H2O product.
K. Gu, L. Chen, B. Jiang, S. Lin, and H. Guo, J. Phys. Chem. C, 126, 17093 (2022), Short and long-time dynamics of hydrogen spillover from a single atom platinum active site to the Cu(111) host surface.
C. D. Foley, C. Xie, H. Guo, and A. G. Suits, Faraday Discuss., 238, 265 (2022), Quantum resonances and roaming dynamics in formaldehyde photodissociation.
G. Sun, S. Han, X. Zheng, Y. Song, Y. Qin, R. Dawes, D. Xie, J. Zhang, and H. Guo, Faraday Disc., 238, 236 (2022), Unimolecular decay dynamics of electronically excited HCO(): Rotational control of nonadiabatic dynamics.
R. Yin and H. Guo, J. Phys. Chem. C, 126, 17935 (2022), Dynamics of CO2 dissociative chemisorption on W(110).
D. Yang, D. Xie and H. Guo, J. Chem. Phys., 157, 164111 (2022), Extended coupled-states approximation for full-dimensional quantum dynamics of ro-vibrationally inelastic scattering between atoms and triatomic molecules.
J. Li, Y. Liu, H. Guo, J. Li, Phys. Chem. Chem. Phys., 24, 27548 (2022), An accurate full-dimensional H4O potential energy surface and dynamics of exchange reaction H2 + H′2O → HH′ + HOH′.
Q. Wan, H. Guo, S. Lin, ACS Catal., 12, 14601 (2022), Corrugation-induced active sites on pristine graphene for H2 activation.
Y. Liu, J. Huang, D. Yang, D. Xie, and H. Guo, J. Phys. Chem. A (special issue on cold chemistry), 126, 9008 (2022), A global full-dimensional potential energy surface for the reaction 23Na87Rb + 23Na87Rb → 23Na2 + 87Rb2 and the formation rate and lifetime of the 23Na287Rb2 collision complex.
J. Zuo, D. Zhang, D. G. Truhlar, and H. Guo, J. Chem. Theo. Comput., 18, 7121 (2022), Global potential energy surfaces from multi-configurational pair density functional theory: The lowest doublet states responsible for N(4Su) + C2(a3Πu) → CN(X2S+) + C(3Pg) reaction.
K. Schleyer, J. Liu, Z. Chen, Z. Wang, Y. Zhang, J. Zuo, A. Ybargollin, H. Guo, L. Cui, Bioconjug. Chem., 33,2290 (2022), A universal and modular scaffold for heparanase activatable probes and drugs.
京公网安备 11010802027423号