Xu Han

7PUBLICATIONS
20CO-AUTHORS
Theoretical quantum chemistryComputational chemistryFormal methods for softwareReaction kinetics and dynamicsChemical thermodynamics and energetics
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Publications (7)

|May 28, 2026
Bridging quantum mechanics to liquid properties via a universal organic force field.

|Jan 13, 2025
Data-driven parametrization of molecular mechanics force fields for expansive chemical space coverage.

Tianze Zheng, Ailun Wang, Xu Han

|May 17, 2024
Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms Using Molecular Configuration Transformer.

Sihao Yuan, Xu Han, Jun Zhang

|Jun 26, 2023
Artificial Intelligence Enhanced Molecular Simulations.

Jun Zhang, Dechin Chen, Yijie Xia

|Sep 22, 2022
Locating Transition Zone in Phase Space.

Yao-Kun Lei, Zhen Zhang, Xu Han

|Sep 08, 2022
Phase Transition between Crystalline Variants of Ordinary Ice.

Maodong Li, Jun Zhang, Haiyang Niu

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Frequent Collaborators

5 joint publications

Jun Zhang

5 joint publications

Yi Isaac Yang

5 joint publications

Yi Qin Gao

2 joint publications

Yao-Kun Lei