Yifan Li

8PUBLICATIONS
79CO-AUTHORS
Microelectromechanical systems (MEMS)Formal methods for softwareEcohydrologyIntegrable systems (classical and quantum)Artificial life and complex adaptive systems
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Publications (8)

|Aug 31, 2026
Evaluating Mechanical-Embedding ML/MM for Predicting Mutation Effects in Chorismate Mutase Catalysis.

|Jun 09, 2026
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills.

|May 27, 2026
Understanding the density maximum of water with machine-learned potentials.

|Apr 13, 2026
fix pimd/langevin: An efficient implementation of path integral molecular dynamics in LAMMPS.

Yifan Li, Axel Gomez, Kehan Cai

|Nov 03, 2025
DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science.

Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu

|Oct 20, 2025
dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.

Jinzhe Zeng, Xingliang Peng, Yong-Bin Zhuang

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Frequent Collaborators

4 joint publications

Jinzhe Zeng

3 joint publications

Roberto Car

3 joint publications

Han Wang

3 joint publications

Linfeng Zhang