个人简历

Xiang Sun is an Assistant Professor of Chemistry at NYU Shanghai. Prior to joining NYU Shanghai, he was a postdoctoral research fellow at the University of Michigan, Ann Arbor and a visiting scholar at the University of California, San Diego. He holds a Ph.D. in Chemistry from Brown University and a B.S. in Chemical Physics from the University of Science and Technology of China (USTC).\r
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Professor Sun is interested in quantum dynamics in condensed-phase systems, such as liquid solutions, surfaces, biological macromolecules, and energy-conversion nanomaterials. A fundamental goal of his research is to obtain a molecular-level understanding of how electronic and vibrational excitation influence the mechanisms, outcomes, and spectroscopic signatures of dynamics in these complex molecular systems. Since electronic and vibrational relaxation usually has a quantum nature, it is highly desirable to have methods that accurately describe the relevant quantum dynamical effects, while still being computationally feasible for large-scale systems like classical methods do. The Sun group is focused on developing semiclassical and mixed quantum-classical methods for understanding dynamics following molecular excitation with the help of statistical mechanics, quantum chemistry, and Feynman’s path integral formalism. Having an insight into the many-body dynamics helps us learn the molecular lessons of ultrafast spectroscopies and gain a deeper understanding of charge and energy transfer dynamics in light-harvesting biomolecules and organic photovoltaic materials.\r
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Education\r
Ph.D. in chemistry, Brown University, 2014\r
M.A. in chemistry, Brown University, 2010\r
B.S. in chemical physics, University of Science and Technology of China, 2008\r
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PROFESSIONAL EXPERIENCES\r
Assistant Professor of Chemistry, New York University Shanghai, Shanghai, China. 2018-present \r
Faculty Member of NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China. 2018-present\r
Global Network Assistant Professor of Chemistry, Department of Chemistry, New York University, New York, NY, 2019-present\r
Adjunct Associate Professor, State Key Laboratory of Precision Spectroscopy, East China Normal University (ECNU), Shanghai, China, 2019-present\r
Visiting Scholar, Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA. 2018\r
Host: Francesco Paesani\r
Postdoctoral Research Fellow, Department of Chemistry, University of Michigan, Ann Arbor, MI. 2014-2017\r
Advisor: Eitan Geva\r
Project: Semiclassical and mixed quantum/classical dynamics for charge transfer and spectroscopy.\r
Research Consultant, Department of Chemistry, Colorado State University, Fort Collins, CO. 2013, 2014 \r
Advisor: Branka M. Ladanyi\r
Project: Structure, dynamics, and solvation in heterogeneous environments.\r
Graduate Research Assistant, Department of Chemistry, Brown University, Providence, RI. 2009-2014\r
Advisor: Richard M. Stratt\r
Project: Theory of solute-pump/solvent-probe spectroscopy

研究领域

"""""主要研究领域涉及理论化学、量子动力学、统计力学、超快非线性光谱学、液体动力学等。"

近期论文

Tao Wang, Zhubin Hu, Xiancheng Nie, Linkun Huang, Hui Miao, Xiang Sun, Guoqing Zhang, Thermochromic AIE Dual Phosphorescence via Temperature-Dependent sp3-Linked Donor-Acceptor Electronic Coupling (submitted)\r
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Zhubin Hu, Zhengqing Tong, Margaret S. Cheung, Barry D. Dunietz, Eitan Geva, Xiang Sun*, Photoinduced Charge Transfer Dynamics in Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi’s Golden Rule, J. Phys. Chem. B (DOI: 10.1021/acs.jpcb.0c06306)\r
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Jaebeom Han, Pengzhi Zhang, Huseyin Aksu, Buddhadev Maiti, Xiang Sun*, Eitan Geva*, Barry D. Dunietz*, and Margaret S. Cheung*, On the Interplay Between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge Transfer Rates, J. Chem. Theory Comput. 16, 6481-6490 (2020).\r
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Zhengqing Tong, Xing Gao, Margaret S. Cheung, Barry D. Dunietz, Eitan Geva, Xiang Sun*, Charge Transfer Rate Constants for the Carotenoid-Porphyrin-C60 Molecular Triad Dissolved in Tetrahydrofuran: The Spin-Boson Model vs. The Linearized Semiclassical Approximation, J. Chem. Phys. 153, 044105 (2020). (Special Topic Issue on 65 Years of Electron Transfer) [Correction: J. Chem. Phys. 153, 129901 (2020)]\r
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Zhengqing Tong, Pablo E. Videla*, Kenneth A. Jung, Victor S. Batista, Xiang Sun*, Two-dimensional Raman Spectroscopy of Lennard-Jones Liquids via Ring-Polymer Molecular Dynamics, J. Chem. Phys. 153, 034117 (2020).\r
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Jacob Tinnin, Srijana Bhandari, Pengzhi Zhang, Huseyin Aksu, Buddhadev Maiti, Eitan Geva*, Barry D. Dunietz*, Xiang Sun*, Margaret S. Cheung*, Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine:C60 Organic Photovoltaic System, Phys. Rev. Applied 13, 054075 (2020).\r
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Xiang Sun*, Hybrid Equilibrium-Nonequilibrium Molecular Dynamics Approach for Two-Dimensional Solute-Pump/Solvent-Probe Spectroscopy, J. Chem. Phys. 151, 194507 (2019).\r
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Tao Wang, Xiaoge Su, Xuepeng Zhang, Xiancheng Nie, Linkun Huang, Xingyuan Zhang*, Xiang Sun*, Yi Luo, Guoqing Zhang*, Aggregation-Induced Dual-Phosphorescence from Organic Molecules for Non-Doped Light-Emitting Diodes, Adv. Mater. 31, 1904273, (2019).\r
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Tao Wang, Xiaoge Su, Xuepeng Zhang, Wenhuan Huang, Linkun Huang, Xingyuan Zhang*, Xiang Sun*, Yi Luo and Guoqing Zhang*, A Combinatory Approach Towards the Design of Organic Polymer Luminescent Materials, J. Mater. Chem. C, 7, 9917-9925 (2019).\r
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Ellen Mulvihill, Alexander Schubert, Xiang Sun, Barry D. Dunietz, and Eitan Geva, A Modified Approach for Simulating Electronically Nonadiabatic Dynamics via the Generalized Quantum Master Equation, J. Chem. Phys. 150, 034101 (2019).\r
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Xiang Sun, Pengzhi Zhang, Yifan Lai, Kyle L. Williams, Margaret S. Cheung, Barry D. Dunitz, and Eitan Geva, Computational Study of Charge Transfer Dynamics in the Carotenoid-Porphyrin-C60 Molecular Triad Dissolved in Tetrahydrofuran and Its Spectroscopic Signature, J. Phys. Chem. C 122, 11288-11299 (2018).\r
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Alexei A. Kananenka, Xiang Sun, Alexander Schubert, Barry D. Dunietz, and Eitan Geva, A Comparative Study of Different Methods for Calculating Electronic Transition Rates, J. Chem. Phys. 148, 102304 (2018). (Special Topic Issue on Nuclear Quantum Effects)\r
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Xiang Sun and Eitan Geva, Non-Condon Nonequilibrium Fermi’s Golden Rule Rates from the Linearized Semiclassical Method, J. Chem. Phys. 145, 064109 (2016). \r
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Xiang Sun and Eitan Geva, Non-Condon Equilibrium Fermi’s Golden Rule Electronic Transition Rate Constants via the Linearized Semiclassical Method, J. Chem. Phys. 144, 244105 (2016).\r
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Xiang Sun and Eitan Geva, Nonequilibrium Fermi’s Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method, J. Chem. Theory Comput. 12, 2926-2941 (2016).\r
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Xiang Sun and Eitan Geva, Exact vs. Asymptotic Spectral Densities in The Garg-Onuchic-Ambegaokar Charge Transfer Model and Its Effect on Fermi’s Golden Rule Rate Constants, J. Chem. Phys. 144, 044106 (2016). \r
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Xiang Sun and Eitan Geva, Equilibrium Fermi’s Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory, J. Phys. Chem. A 120, 2976-2990 (2016) (Ronnie Kosloff Festschrift) \r
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Xiang Sun, Branka M. Ladanyi, and Richard M. Stratt, Effects of Electronic-state-dependent Solute Polarizability: Application to Solute-pump/solvent-probe Spectra, J. Phys. Chem. B, 119, 9129-9139 (2015). ACS Editors’ Choice. (Branka M. Ladanyi Festschrift) \r
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Xiang Sun and Richard M. Stratt, How a Solute-pump/solvent-probe Spectroscopy Can Reveal Structural Dynamics: Polarizability Response Spectra as a Two-dimensional Solvation Spectroscopy, J. Chem. Phys. 139, 044506 (2013). \r
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Xiang Sun and Richard M. Stratt, The Molecular Underpinnings of a Solute-pump/solvent-probe Spectroscopy: The Theory of Polarizability Response Spectra and an Application to Preferential Solvation, Phys. Chem. Chem. Phys. 14, 6320-6331 (2012).