Hi, I'm Rui Yang 👋

PhD Student in Condensed Matter Physics @ Zhejiang University
Molecular Simulation · Statistical Physics · Water & Ice · AI for Science

About

I study the microscopic physics of supercooled water and ice nucleation using molecular simulation and statistical mechanics. I am also interested in AI for Science and AI-assisted scientific computing.

Research

• 🧊 Ice nucleation & interfacial effects
• 💧 Supercooled water & liquid–liquid transitions
• ⚛️ Statistical physics & free-energy analysis
• 🤖 AI for Science & scientific computing workflows

Tools

Python · OpenMM · GROMACS · Linux · Slurm · Git

Selected Publication

Composite Structural Descriptors Reveal Microscopic Structural Heterogeneity in Liquid Water
The Journal of Physical Chemistry Letters 17 (2026), 5355–5361 · DOI