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Focusing
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Focusing
4 followers · 60 following
  • Xi'an Jiaotong University
  • Chiina

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gz107/README.md

Hi 👋, I'm Zheng Gao

Computational Materials • MOF/COF • Adsorption & Separation • Scientific Programming

About Me

  • Researcher in computational materials & adsorption separation
  • Focus on MOFs/COFs, gas adsorption, diffusion, molecular simulations
  • Skilled in VASP · ASE · LAMMPS · GCMC · Python scientific computing
  • Building tools for materials screening, structure processing, high-throughput analysis
  • Love clean code, reproducible workflows, and elegant simulation pipelines

Tech Stack

Languages

Scientific / Simulation

  • MS / VASP / CP2K
  • ASE / Pymatgen
  • LAMMPS / GPUMD
  • RASPA / GCMC tools
  • Pore+ / Zeo++

Contact

  • Email: gaozheng at stu.xjtu.edu.cn

⭐️ If you like my work, feel free to star a repo!

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    Jupyter Notebook