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Qiang Cui

Li

Born Jan. 28, 1975 in Beijing, China.

Professor of Chemistry, Boston University

Email:qiangcui@bu.edu
Web: external link Web: external link

B. S. University of Science and Technology of China (1993); Ph.D., Emory University (1997); Postdoctoral Fellow, Harvard University (1998-2001); Research Innovation Award, Research Corporation (2003); CAREER Award, National Science Foundation (2004); Alfred P. Sloan Research Fellowship (2004); H. Romnes Fellow, UW-Madison (2010); Distinguished Faculty, Chinese-American Chemistry & Chemical Biology Professors Association (2010); Vilas Associate, UW-Madison (2014); Kellet Mid-Career Award, UW-Madison (2016); Fellow, Royal Society of Chemistry (2022); Fellow, American Chemical Society (2023); Jack Simons Award in Theoretical Chemistry, American Chemical Society Physical Chemistry Division (2025). Associate and Executive Editor, J. Chem. Theory Comput. (2023-present).

Author of:

More than 355 scientific articles.

Important Contributions:

  • Development and application of QM/MM methods for free energy calculations of condensed phase systems, especially metalloenzymes and membrane proteins.
  • Treatment of solvation and long-range electrostatics in QM/MM simulation.
  • QM/MM methods for molecular observable calculations in the condensed phase.
  • Systematic improvements of density functional tight binding methods for proton transfer reactions, metal ions and non-covalent interactions.
  • Enhanced sampling and multi-level free energy simulation methods that integrate QM/MM potentials and machine learning approaches.