LabCompass

Jingzhi Pu

Biochemistry, Genetics and Molecular Biology · Indiana University

OpenAlex ORCID
Protein Structure and DynamicsAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials ScienceDNA and Nucleic Acid Chemistry

Publications

84

Citations

12,369

Est. group size

—

Recurring co-author estimate

Active years

26

Publishing since 2001

Research summary
AI-generated

Jingzhi Pu develops computational methods to simulate how molecules and chemical reactions behave, especially in biological systems like enzymes. A central focus is combining quantum mechanics with classical models (QM/MM) and using machine learning to make these expensive simulations faster and more accurate. Applications include studying reaction energies, DNA damage, and behavior of molecules in solution.

QM/MM (quantum mechanics/molecular mechanics) simulationMachine learning for molecular modelingFree energy calculations of enzyme reactionsChemical reaction rate theoryMolecular dynamics of biomolecules

Publication activity has been steady with growth, peaking around 2021-2023 and holding at roughly five papers per year in recent years.

Generated by claude-opus-4-8 from public bibliographic data · Jul 11, 2026

Publication cadence
Publications per year over the last 10 years — averaging 5.0/year recently
2017: 2 publications172018: 2 publications182019: 4 publications192020: 1 publication202021: 7 publications212022: 5 publications222023: 10 publications10232024: 4 publications242025: 5 publications252026: 1 publication26
Recent publications
Publishes in
  • ChemRxiv×10
  • Journal of Chemical Theory and Computation×4
  • The Journal of Physical Chemistry B×3
  • Physical Chemistry Chemical Physics×2
  • RSC Advances×2

This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.

Last updated Jul 11, 2026.

Claim or correct this profile