Yi Isaac Yang

15PUBLICATIONS
13CO-AUTHORS
Modelling and simulationComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Process control and simulationMolecular imaging (incl. electron microscopy and neutron diffraction)Computational chemistry
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Publications (15)

|Jul 30, 2025
Performing Path Integral Molecular Dynamics Using an Artificial Intelligence-Enhanced Molecular Simulation Framework.

Cheng Fan, Maodong Li, Sihao Yuan

|Jun 27, 2025
A Sinking Approach to Explore Arbitrary Areas in Free Energy Landscapes.

Zhijun Pan, Maodong Li, Dechin Chen

|Feb 27, 2025
Multiscale Force Field Model Based on a Graph Neural Network for Complex Chemical Systems.

Zhaoxin Xie, Yanheng Li, Yijie Xia

|Feb 12, 2025
Effective Nucleation Size for Ice Crystallization.

Maodong Li, Yupeng Huang, Yijie Xia

|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

|Nov 10, 2023
Unsupervisedly Prompting AlphaFold2 for Accurate Few-Shot Protein Structure Prediction.

Jun Zhang, Sirui Liu, Mengyun Chen

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Frequent Collaborators

11 joint publications

Yi Qin Gao

10 joint publications

Jun Zhang

5 joint publications

Xu Han

5 joint publications

Dechin Chen