Ph.D., Theoretical Chemistry
Brown University, Providence, RI
Curriculum vitae
Xiang Sun
Education, appointments, teaching, honors, presentations, and professional service.
Education
M.A., Chemistry
Brown University, Providence, RI
B.Sc., Chemical Physics
University of Science and Technology of China (USTC), Hefei, China
Professional Experience
- Associate Professor of Chemistry and Physics, New York University Shanghai, Shanghai, China, 2026–present
- Global Network Associate Professor, Department of Chemistry, New York University, 2026–present
- Adjunct Professor, School of Physics, East China Normal University, 2026–present
- Faculty Member, NYU–ECNU Institute of Physics at NYU Shanghai, 2026–present
- Faculty Member, NYU–ECNU Center for Computational Chemistry at NYU Shanghai, 2018–present
- Assistant Professor of Chemistry, New York University Shanghai, Shanghai, China, 2018–2026
- Global Network Assistant Professor of Chemistry, Department of Chemistry, New York University, 2019–2026
- Adjunct Associate Professor, State Key Laboratory of Precision Spectroscopy, East China Normal University, 2019–2026
- Visiting Scholar, Department of Chemistry and Biochemistry, University of California, San Diego, 2018. Host: Francesco Paesani
- Postdoctoral Research Fellow, Department of Chemistry, University of Michigan, 2014–2017. Advisor: Eitan Geva
- Research Consultant, Department of Chemistry, Colorado State University, 2013 and 2014. Advisor: Branka M. Ladanyi
- Graduate Research Asistant, Department of Chemistry, Brown University, 2008-2013. Advisor: Richard M. Stratt
Teaching Experience
- CHEM-SHU 651: Physical Chemistry: Quantum Mechanics and Spectroscopy, NYU Shanghai, Fall 2023 and Fall 2025
- CHEM-GA 9668: Chemical Dynamics, NYU GSAS, Spring 2024, Spring 2026
- CHEM-GA 2666: Quantum Chemistry and Advanced Statistical Mechanics, New York, Spring 2023 and Spring 2025
- CHEM-GA 9666: Quantum Chemistry and Advanced Statistical Mechanics, Shanghai, Spring 2021
- CHEM-SHU 125: Foundations of Chemistry I, NYU Shanghai, Fall 2019, 2020, 2021, and 2024
- CHEM-SHU 126: Foundations of Chemistry II, NYU Shanghai, Spring 2020, 2021, and 2022
- Guest Lecturer, CHEM 580: Molecular Structure and Spectroscopy, University of Michigan, 2015
- Teaching Assistant, CHEM 0330: Equilibrium, Rate, and Structure, Brown University, 2008–2012
- Lecturer, National Chemistry Olympiad training course for high-school students, Electrochemistry, Henan, 2005
Honors and Awards
- Young Scientists Program (Category B), National Natural Science Foundation of China, 2026
- Shuguang Plan, Shanghai Municipal Education Commission, 2026
- Easterm Talent Plan (Top-Notch Program), Shanghai Municipal Education Commission, 2026
- General Program, National Natural Science Foundation of China, 2022
- Young Scientists Program, National Natural Science Foundation of China, 2020
- Eastern Young Scholar, Shanghai Municipal Education Commission, 2019
- Shanghai Sailing Program, Science and Technology Commission of Shanghai Municipality, 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
Complete numbered publication list, DOI links, preprints, and special issues.
Lectures, Seminars, and Scientific Meetings
Invited Lectures 48 entriesCollapseExpand⌄
- Northwestern University, Department of Chemistry, April 2025
- University of Wisconsin–Madison, Department of Chemistry, April 2025
- Rutgers University–Newark, Department of Physics, March 2025
- California Institute of Technology, Division of Chemistry and Chemical Engineering, March 2025
- University of California, Irvine, Department of Chemistry, March 2025
- Stony Brook University–SUNY, Department of Chemistry, March 2025
- University of Delaware, Department of Physics and Astronomy, February 2025
- Boston University, Department of Chemistry, February 2025
- Georgia Institute of Technology, Department of Chemistry and Biochemistry, February 2025
- Emory University, Department of Chemistry, February 2025
- Simons Center for Computational Physical Chemistry, New York University, February 2025
- Princeton University, Department of Chemistry, February 2025
- University of California, Los Angeles, Department of Chemistry and Biochemistry, January 2025
- University of Southern California, Department of Chemistry, January 2025
- University of California, San Diego, Department of Chemistry and Biochemistry, January 2025
- Shanghai Frontier Symposium on Theoretical and Computational Chemistry, December 2024
- International Symposium on Molecular Design of Opto-Electronic Materials, October 2024
- MolSSI Workshop on Machine Learning in Quantum and Nonadiabatic Dynamics, August 2024
- National Conference on Theoretical and Computational Chemistry, August 2024
- Chinese Materials Conference and World Materials Conference, July 2024
- National Center for Nanoscience and Technology, Chinese Academy of Sciences, May 2024
- Institute of Chemistry, Chinese Academy of Sciences, May 2024
- International Conference on Theoretical and High-Performance Computational Chemistry, April 2024
- Electronic Structure and Dynamical Methods of Complex Systems Young Investigator Symposium, December 2023
- Conference on Computational Statistical Mechanics of Complex Systems, November 2023
- Peking University, School of Chemistry, November 2023
- National Conference on Ultrafast Vibrational Spectroscopy, October 2023
- Telluride Workshop on Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, October 2023
- Chinese Chemical Society Annual Conference, June 2023
- New Jersey Institute of Technology, Department of Chemistry, March 2023
- University at Buffalo, Department of Chemistry, February 2023
- Brown University, Department of Chemistry, September 2022
- Yale University, Department of Chemistry, September 2022
- Telluride Workshop on Spectroscopy and Dynamics of Coupled Anharmonic Vibrations, June 2022
- National Conference on Computer Chemistry of China, October 2021
- Nanjing University, Institute of Theoretical and Computational Chemistry, May 2021
- East China University of Science and Technology, School of Pharmacy, April 2021
- Chemical Physics Youth Forum, Institute of Chemistry, CAS, October 2020
- International Centre for Quantum and Molecular Structures, Shanghai University, August 2019
- Telluride Workshop on Nonequilibrium Phenomena, Nonadiabatic Dynamics and Spectroscopy, July 2019
- California Institute of Technology, Department of Chemistry, July 2019
- International Symposium on Quantum Effects in Chemistry and Biology, NYU Shanghai, June 2019
- STEM Seminar Series, NYU Shanghai, April 2019
- University of Houston, Department of Physics, February 2019
- USTC Chemical Dynamics Seminar, September 2018
- BNLMS Symposium of Theoretical and Computational Chemistry, Peking University, August 2018
- Columbia University Physical Chemistry Seminar, November 2014
- USTC Chemical Physics Seminar, March 2013
Oral Presentations 8 entriesCollapseExpand⌄
- Chinese Chemical Society Annual Conference, Guangzhou, June 2024
- Les Houches Workshop on Quantum Dynamics and Spectroscopy, May 2021
- Chinese Chemical Society Annual Conference, Zhuhai, April 2021
- Symposium on Statistical Mechanics of Complex Systems, Zhejiang University, December 2020
- Symposium on Statistical Mechanics of Complex Systems, USTC, December 2018
- ACS National Meeting symposium honoring Branka Ladanyi, San Francisco, April 2017
- Theory and Application of Computational Chemistry, Seattle, August–September 2016
- ACS National Meeting symposium on solvent dynamics, Philadelphia, August 2012
Poster Presentations 6 entriesCollapseExpand⌄
- American Conference of Theoretical Chemistry, Palisades Tahoe, July 2022
- National Conference on Quantum Chemistry, Best Poster Award, Shanghai, October 2021
- Femtochemistry Conference, Shanghai, July–August 2019
- ACS National Meeting, San Francisco, April 2017
- Penn Conference in Theoretical Chemistry, Philadelphia, July 2015
- American Conference on Theoretical Chemistry, Telluride, July 2014
Certifications
- High-Impact Principles and Practices for STEM Education, University of Michigan, 2015
- High-Performance Computing Certificate I, Brown University, 2012
Professional Affiliations
- Chinese Chemical Society
- American Chemical Society
- Sigma Xi
Service
- Editorial Advisory Board, Journal of Chemical Theory and Computation, 2025–present
- Editorial Advisory Board, The Journal of Chemical Physics, 2024–present
- Organizing committee, Conference on Computational Statistical Mechanics of Complex Systems, 2024
- Organizing committee, International Symposium on Quantum Dynamics of Complex Systems, 2024
- Organizing committee, International Symposium on Computational Molecular Science and Machine Learning, 2024
- Interdisciplinary Colloquium Organizing Committee, NYU Shanghai, 2024–present
- Tenured/Tenure-Track Chemistry Faculty Search Committee, NYU Shanghai, 2022 and 2024
- Executive Committee, Virtual International Seminar on Theoretical Advancements, 2020–present
- Academic Programming Advisory Committee, NYU Shanghai, 2018–2023
- Graduate Coordinator of Chemistry, NYU Shanghai, 2019–2022
- HPC Committee, NYU Shanghai, 2021–present
- Referee for journals including Nature Communications, JACS, JCP, JPCA/B/C, JPCL, Chemical Science, PCCP, WIREs Computational Molecular Science, and others