Yuxinxin Chen

8PUBLICATIONS
13CO-AUTHORS
Modelling and simulationBioinformatic methods developmentSemi- and unsupervised learningComputational chemistryTheoretical quantum chemistry
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Publications (8)

|Jun 22, 2026
Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical Simulations.

|May 04, 2026
Integrating Machine Learning Interatomic Potentials with MMPBSA for Accurate Protein-Ligand Binding Free Energy Calculations.

|Feb 14, 2026
AIQM3: Targeting Coupled-Cluster Accuracy with Semi-Empirical Speed across Seven Main-Group Elements.

Yuxinxin Chen, Yi-Fan Hou, Roman Zubatyuk

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

Fuchun Ge, Yuxinxin Chen, Pavlo O Dral

|Sep 12, 2025
One to Rule Them All: A Universal Interatomic Potential Learning across Quantum Chemical Levels.

Yuxinxin Chen, Pavlo O Dral

|Aug 14, 2025
AIQM2: organic reaction simulations beyond DFT.

Yuxinxin Chen, Pavlo O Dral

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Frequent Collaborators

8 joint publications

Pavlo O Dral

3 joint publications

Fuchun Ge

3 joint publications

Yi-Fan Hou

2 joint publications

Peikun Zheng