The Sun Group

CV

Xiang Sun

CONTACT INFORMATION

New York University Shanghai
567 West Yangsi Road, Room E621
Pudong New Area
Shanghai, 200124, China
Email: xiang.sun@nyu.edu

上海纽约大学
杨思西路567号，E621室
上海市浦东新区
邮编：200124

 

EDUCATION

  • Ph. D. Theoretical Chemistry, Brown University, Providence, RI. 2014 
    Advisor: Richard M. Stratt 
  • M. A. Chemistry, Brown University, Providence, RI. 2010
  • B. Sc. Chemical Physics, University of Science and Technology of China (USTC), Hefei, China. 2008

 

PROFESSIONAL EXPERIENCES

  • Assistant Professor of Chemistry, New York University Shanghai, Shanghai, China. 2018-present 
    • Faculty Member of NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China. 2018-present
    • Global Network Assistant Professor of Chemistry, Department of Chemistry, New York University, New York, NY, 2019-present
    • Adjunct Associate Professor, State Key Laboratory of Precision Spectroscopy, East China Normal University (ECNU), Shanghai, China, 2019-present
  • Visiting Scholar, Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA. 2018
    Host: Francesco Paesani
  • Postdoctoral Research Fellow, Department of Chemistry, University of Michigan, Ann Arbor, MI. 2014-2017 
    Advisor: Eitan Geva
  • Research Consultant, Department of Chemistry, Colorado State University, Fort Collins, CO. 2013, 2014 
    Advisor: Branka M. Ladanyi

 

TEACHING EXPERIENCES

  • Lecturer, CHEM-GA 9668: Chemical Dynamics, NYU GSAS, Shanghai, China, Spring 2024
  • Lecturer, CHEM-SHU 651: Physical Chemistry: Quantum Mechanics and Spectroscopy, NYU Shanghai, Shanghai, China, Fall 2023
  • Lecturer, CHEM-GA 2666: Quantum Chemistry and Advanced Statistical Mechanics, New York, Spring 2023, Spring 2025
  • Lecturer, CHEM-GA 9666: Quantum Chemistry and Advanced Statistical Mechanics, Shanghai, Spring 2021
  • Lecturer, CHEM-SHU 125: Foundations of Chemistry I, NYU Shanghai, Shanghai, China, Fall 2019, Fall 2020, Fall 2021, Fall 2024
  • Lecturer, CHEM-SHU 126: Foundations of Chemistry II, NYU Shanghai, Shanghai, China, Spring 2020, Spring 2021, Spring 2022
  • Guest lecturer, CHEM 580: Molecular Structure and Spectroscopy, University of Michigan, 2015
  • Teaching Assistant, CHEM 0330: Equilibrium, Rate, and Structure, Department of Chemistry, Brown University, Providence, RI. 2008-2012
  • Lecturer, Training course of National Chemistry Olympiad for High-school Students, Electrochemistry, Henan, China. 2005

 

HONORS AND AWARDS

  • General Program, National Natural Science Foundation of China (NSFC), 2022
  • Young Scientist Program, National Natural Science Foundation of China (NSFC), 2020
  • Eastern Young Scholar, Shanghai Municipal Education Commission (SMEC), 2019
  • Shanghai Sailing Program, Science and Technology Commission of Shanghai Municipality (STCSM), 2019
  • Sigma Xi Award for Excellence in Research, Brown University. 2013
  • Dissertation Fellowship, Brown University. 2012
  • University Fellowship, Brown University. 2009
  • Excellent Graduate Student of USTC. 2008
  • MEDY Scholarship, USTC, 2007

 

PUBLICATIONS

(see Publications page)

 

LECTURES, SEMINARS, SCIENTIFIC MEETINGS

Invited lectures

  • 2024 Shanghai Frontier Symposium on Theoretical and Computational Chemistry, Shanghai, China, December 6-9, 2025
  • The 6th International Symposium on Molecular Design of Opto‑Electronic Materials, Changsha, China, October 24-27, 2025.
  • MolSSI workshop on Machine‑Learning in Quantum and Nonadiabatic Dynamics, Buffalo, NY (online), August 15-16, 2024.
  • The 15th National Conference on Theoretical and Computational Chemistry, Changchun, China, August 6-9, 2024.
  • Chinese Materials Conference 2024 & The 2nd World Materials Conference (CMC & WMC 2024), Guangzhou, July 8-11, 2024.
  • National Center for Nanoscience and Technology, Chinese Academy of Sciences, Beijing, China, May 24, 2024.
  • Institute of Chemistry, Chinese Academy of Sciences, Beijing, China, May 24, 2024.
  • International Conference on Theoretical and High-Performance Computational Chemistry 2024 (ICT-HPCC24), Wuhan, China, April 19-22, 2024.
  • Electronic Structure and Dynamical Methods of Complex Systems Young Investigator Symposium, Beijing Normal University, Beijing, China, December 1-3, 2023.
  • The 12th Conference on Computational Statistical Mechanics of Complex Systems, Guangzhou, China, November 24-27, 2023.
  • School of Chemistry, Peking University, Beijing, China, November 13, 2023.
  • The 3rd National Conference on Ultrafast Vibrational Spectroscopy, Huhu, Anhui, October 13-15, 2023. 
  • Telluride Workshop on Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, Telluride, CO, October 2-6, 2023.
  • The 33rd Chinese Chemistry Society (CCS) Annual Conference, Qingdao, China, June 17-20, 2023.
  • Department of Chemistry, New Jersey Institute of Technology, Newark, NJ, March 1, 2023.
  • Department of Chemistry, University at Buffalo, February 24, 2023. 
  • Department of Chemistry, Brown University, Providence, RI, September 8, 2022.
  • Department of Chemistry, Yale University, New Haven, CT, September 7, 2022.
  • Telluride Workshop on “Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems”, Telluride, CO, June 5-10, 2022.
  • The 16th National Conference on Computer Chemistry of China, Jilin University, October 18, 2021.
  • Nanjing University, Institute of Theoretical and Computational Chemistry, May 13, 2021.
  • East China University of Science and Technology, School of Pharmacy, April 9, 2021.
  • Chemical Physics Youth Forum: 2020 Theoretical and Computational Chemistry Seminar, Institute of Chemistry, CAS, Beijing, China, October 24, 2020.
  • International Centre for Quantum and Molecular Structures (ICQMS), Shanghai University, Shanghai, China, August 30, 2019.
  • Telluride Workshop on “Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy”, Telluride, CO, July 15-20, 2019.
  • Department of Chemistry, California Institute of Technology, Pasadena, CA, July 2, 2019.
  • International Symposium on Quantum Effects in Chemistry and Biology, NYU Shanghai, June 1-3, 2019.
  • STEM Seminar Series, NYU Shanghai, April 17, 2019.
  • Special Seminar, Department of Physics, University of Houston, TX, February 14, 2019.
  • Chemical Dynamics Seminar, Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, China, September 19, 2018.
  • The First Beijing National Laboratory for Molecular Science (BNLMS) Symposium of Theoretical and Computational Chemistry, Peking University, Beijing, China, August 4-6, 2018.
  • Guest lecture for graduate course CHEM 580: Molecular Structure and Spectroscopy, University of Michigan, April 16, 2015.
  • Physical Chemistry Seminar, Columbia University, New York, November 20, 2014.
  • Chemical Physics Seminar, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, China, March 27, 2013.

Oral presentations

  • Xiang Sun, The 33rd Chinese Chemistry Society (CCS) Annual Conference, Guangzhou, China, June 15-18, 2024.
  • Xiang Sun, Les Houches Workshop on Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, École de Physique des Houches (online), May 5, 2021.
  • Xiang Sun, The 32nd Chinese Chemistry Society (CCS) Annual Conference, Zhuhai, China, April 20, 2021.
  • Xiang Sun, Symposium on statistical mechanics of complex systems, Zhejiang University, Hangzhou, China, December 12-13, 2020.
  • Xiang Sun, Symposium on statistical mechanics of complex systems, USTC, Hefei, China, December 8-10, 2018.
  • Xiang Sun, Branka M. Ladanyi, Richard M. Stratt, Local structural dynamics revealed by solute-pump/solvent-probe spectroscopy, Symposium on dynamics & structure of molecular fluids: Honoring the work and life of Branka Ladanyi, the 253rd ACS national meeting, San Francisco, CA, April 3, 2017.
  • Xiang Sun, Eitan Geva, Electronic transition rates via the linearized semiclassical method, Theory and Application of Computational Chemistry (TACC), Seattle, WA, Aug 28-Sep 2, 2016.
  • Xiang Sun and Richard M. Stratt, Theory of solute-pump/solvent-probe spectroscopy and an application to preferential solvation, Symposium on solvent dynamics at biomolecular interfaces: experiment and theory, the 244th American Chemical Society National Meeting, Philadelphia, PA, August 19-23, 2012.

Poster presentations

  • Xiang Sun, 2022 American Conference of Theoretical Chemistry (ACTC), Palisades Tahoe, CA, July 23-28, 2022.
  • Xiang Sun, The 14th National Conference on Quantum Chemistry, (Best Poster Award), Shanghai, October 12, 2021.
  • Xiang Sun, Ultrafast liquid dynamics revealed by solute-pump/solvent-probe spectroscopy, the 14th Femtochemistry Conference (FEMTO 14) – Dynamics of the Complexity in Chemistry, Biology, and Physics, Shanghai, July 28 – August 2, 2019.
  • Xiang Sun, Eitan Geva, Photoinduced charge transfer rates in light-harvesting carotenoid-phorphrin-C60 molecular triad, the 253rd ACS national meeting, San Francisco, CA, April 5, 2017.
  • Xiang Sun, Eitan Geva, Photo-induced charge transfer dynamics via linearized semiclassical method, Penn Conference in Theoretical Chemistry (PCTC), Philadelphia, PA, July 29-31, 2015.
  • Xiang Sun, Branka M. Ladanyi, Richard M. Stratt, Solute-pump/solvent-probe spectroscopy, American Conference on Theoretical Chemistry (ACTC), Telluride, Colorado, July 20-25, 2014.

 

CERTIFICATIONS

  • High-Impact Principles and Practices for STEM Education, Rackham School of Graduate Studies and the Center for Research on Learning and Teaching (CRLT) at the University of Michigan. 2015
  • High-Performance Computing Certificate I, Center for Computation and Visualization, Brown University. 2012

 

PROFESSIONAL AFFILIATIONS

  • Chinese Chemical Society
  • American Chemical Society
  • Sigma Xi

 

SERVICES

  • Editorial Advisory Board, Journal of Chemical Theory and Computation (JCTC), 2025-present
  • Editorial Advisory Board, The Journal of Chemical Physics (JCP), 2024-present
  • Organizing committee, The 13th Conference on Computational Statistical Mechanics of Complex Systems, Shanghai, 2024
  • Organizing committee, 2024 International Symposium on Quantum Dynamics of Complex Systems, Shanghai, 2024
  • Organizing committee, 2024 International Symposium on Computational Molecular Science and Machine Learning, Shanghai, 2024
  • Interdisciplinary Colloquium Organizing Committee, NYU Shanghai, 2024-present
  • Tenured/Tenure-Track Chemistry Faculty Search Committee, NYU Shanghai, 2022, 2024
  • Executive Committee, Virtual International Seminar on Theoretical Advancements (VISTA), 2020-present
  • Panelist, Molecular Education and Research Consortium in Undergraduate computational chemistry (MERCURY) 2021 Conference
  • Academic Programming Advisory Committee (APAC), NYU Shanghai, 2018-2023
  • Graduate Coordinator of Chemistry (GCC) at NYU Shanghai, 2019-2022
  • FTCC Faculty Promotion and Review Committee, NYU Shanghai, 2019, 2021
  • Experimental Discovery (ED) Course Design Guide Working Group, NYU Shanghai, 2020-2023
  • Curriculum Committee, NYU Shanghai, 2021-2022
  • HPC Committee, NYU Shanghai, 2021-present
  • Referee for Nature Communications, Journal of American Chemical Society, Journal of Chemical Physics, Journal of Physical Chemistry A/B/C, Journal of Physical Chemistry Letters, Chemical Science, Physical Chemistry Chemical Physics, International Journal of Quantum Chemistry, Journal of Materials Chemistry C, WIREs Computational Molecular Science, Biophysical Journal, Entropy, Symmetry, Scientific Data, ACS Omega.