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MoseyQAQ/README.md

Welcome

I am mosey, a Ph.D student from Westlake University. I use python3 for pre and post-processing of the atomic simulation. I am learning CPP.

Research Interests

  • Ferroelectric materials and computational condensed matter physics.
  • Machine learning force field development.
  • Workflow development.

Contact

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  1. Compu.Chem.scripts Compu.Chem.scripts Public

    useful scripts in VASP.

    Python 4

  2. Toolkit4VASP-MS Toolkit4VASP-MS Public

    a personal data processing toolkit for materials studio,dmol3.

    C 3 1

  3. AI4S101 AI4S101 Public

    The code for AI for Science 101 project (Not officail!!)

    Python 1

  4. FerroDispCalc FerroDispCalc Public

    Python codes for calculation of polarization displacement vector in ferroelectric materials

    Python 6 1

  5. flexgen flexgen Public

    A flexible machine learning potential generator.

    1