Cheng Fan

6PUBLICATIONS
17CO-AUTHORS
Computational chemistryTransition metal chemistryModelling and simulationProcess control and simulationMolecular imaging (incl. electron microscopy and neutron diffraction)
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Publications (6)

|Jun 25, 2026
GPU Accelerated Minimal Auxiliary Basis Approach TDDFT for Large Organic Molecules.

|Jan 30, 2026
Analytical Excited-State Gradients and Derivative Couplings in TDDFT with Minimal Auxiliary Basis Set Approximation and GPU Acceleration.

Zhichen Pu, Xiaojie Wu, Yuanheng Wang

|Dec 04, 2025
Catalytic Hydrogenation Dominated by Concerted Hydrogen Tunneling at Room Temperature.

Qingyuan Wu, Pengxin Liu, Xia-Guang Zhang

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

Cheng Fan, Maodong Li, Sihao Yuan

|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

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Frequent Collaborators

5 joint publications

Yi Qin Gao

3 joint publications

Yi Isaac Yang

2 joint publications

Maodong Li

2 joint publications

Yijie Xia