CV

Last update Mar 2026. A full CV is available upon request.

Education

• BSc Biochemistry, University College London, UK, 2021.
• (Ongoing) Erasmus Mundus Masters in Theoretical Chemistry and Computational Modelling, Universitat de Barcelona, Spain, (anticipate to graduate in) 2027.

Research experience

• (Feb 2026 – ) Rovira lab, Institute of Theoretical and Computational Chemistry (IQTCUB), University of Barcelona [Link]
  • Master Student for Thesis
  • Research Focus: ML/MM simulation of enzymatic reactions
  • Supervisor: Prof. Carme Rovira
• (May 2025 – July 2025) Keller lab, Department of Biology, Chemistry and Pharmacy, Free University of Berlin [Link]
  • Research Internship
  • Research Focus: Kinetic reweighting method development
  • Supervisor: Prof. Bettina G. Keller
• (Oct 2023 – ) Wu group, School of Mathematical Sciences, Institute of Natural Sciences, Shanghai Jiao Tong University [Link]
  • Visiting Researcher
  • Research Focus: Markov state modelling & machine learning reaction coordinate
  • Supervisor: Prof. Hao Wu
• (Apr 2023 – Sep 2025) Integrative Computational Structural Biology Lab, College of Life Sciences, Zhejiang University [Link]
  • Research Assistant
  • Research Focus: enhanced sampling methods development and its application
  • Supervisor: Prof. Yong Wang
• (Jan 2022 – Apr 2023) Fu group, Zhongshan Institute for Drug Discovery, Shanghai Institute of Materia Medica [Link]
  • Research Assistant
  • Research Focus: Cryo-EM/NMR structural biology, MD simulation of biomolecules
  • Supervisor: Prof. Qingshan Fu

Workshop/Conference/Talk

1. Markov Models from Biased Simulations: a Generalized Method. In-group internship report at Prof. Bettina Keller’s research group, Freie Universität Berlin, Berlin, Germany. July 10, 2025.

2. Enhancing Biomolecular Simulations with Machine Learning. AI-based Computational Methods for Molecular Dynamics Simulation. November 9-10, 2024. Invited presentation. Shanghai Normal University, Shanghai, China.

3. Machine Learning for Biomolecular Simulations. Invited in-group talk at Prof. Carme Rovira’s research group, Universitat de Barcelona, Barcelona, Spain. November 18, 2024.

4. Flow Matching for Optimal Reaction Coordinate. Expanding the Impact of Molecular Simulations by Integrating Machine Learning with Statistical Mechanics. Grand Hotel Vesuvio, Sorrento, Italy. October 10-12, 2024. Invited short communication and poster. [Link]

5. Enhanced sampling methods with PLUMED. CECAM HQ, Lausanne, Switzerland. July 3-6, 2023. 1/30 host-funded on-site attendance. [Link]

Teaching Activities

1. Bootcamp in Enhanced Sampling Methods for Biomolecular Simulation. College of Life Sciences, Zhejiang University. August 11-15, 2025. Organizer & Lecturer. (Slides & notes available upon request.)

Publications

See [Publications]