Fuchun Ge

12PUBLICATIONS
23CO-AUTHORS
Computational chemistryChemical and thermal processes in energy and combustionEvolutionary computationSimulation, modelling, and programming of mechatronics systemsSemi- and unsupervised learning
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Publications (12)

|Feb 12, 2026
Artificial Intelligence for Direct Prediction of Molecular Dynamics across Chemical Space.

Fuchun Ge, Yuxinxin Chen, Pavlo O Dral

|Jan 03, 2025
ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies.

Seyedeh Fatemeh Alavi, Yuxinxin Chen, Yi-Fan Hou

|Sep 12, 2024
Physics-Informed Active Learning for Accelerating Quantum Chemical Simulations.

Yi-Fan Hou, Lina Zhang, Quanhao Zhang

|Jun 05, 2024
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods.

Lina Zhang, Sebastian V Pios, Mikołaj Martyka

|Apr 16, 2024
Tell Machine Learning Potentials What They Are Needed For: Simulation-Oriented Training Exemplified for Glycine.

Fuchun Ge, Ran Wang, Chen Qu

|Jan 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows.

Pavlo O Dral, Fuchun Ge, Yi-Fan Hou

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Frequent Collaborators

12 joint publications

Pavlo O Dral

8 joint publications

Yi-Fan Hou

5 joint publications

Lina Zhang

4 joint publications

Mario Barbatti