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Focusing
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Focusing
8 followers · 71 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

  • Computational materials researcher
  • Working on MOFs/COFs, gas adsorption & molecular simulations
  • Using VASP, LAMMPS, ASE, Python
  • Interested in high-throughput screening and scientific workflows

Simulation: VASP · CP2K · LAMMPS · GPUMD · ASE · Pymatgen · RASPA · Zeo++

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    Jupyter Notebook