Bingqing Cheng

Bingqing Cheng

Assistant Professor of Chemistry

Cheng Lab

Research Interests

Research areas: Theoretical Chemistry, Physical Chemistry, Materials, Polymers & Nanoscience

Quantum mechanics is accurate for materials and molecules, but it is prohibitively expensive for realistic systems. We are interested in developing methods to extend the scope of atomistic simulations, in order to understand and predict materials properties that are hard to access. The group deploys and designs a combination of techniques encompassing machine learning, enhanced sampling, path-integral molecular dynamics, and free energy estimation. The systems of study include energy materials, aqueous systems, and matter under extreme conditions.


  • Born 1991
  • B. Eng. Mechanical Engineering, The University of Hong Kong and Shanghai Jiao Tong University (2012)
  • M. Phil. Materials Science, The University of Hong Kong (2014)
  • Ph. D. Materials Science, EPFL (2019)
  • Junior Research Fellow, Trinity College, University of Cambridge (2019-)
  • Departmental Early Career Fellow,  Department of Computer Science and Technology, University of Cambridge (2020-2021)
  • Assistant Professor, Institute of Science and Technology Austria (2021-)
  • Assistant Professor, UC Berkeley (starting Jan 2024)