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Achievement: Pull Shark

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Achievement: Pull Shark

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chelleorc/README.md
  • 👋 Hi, I’m LaToya
  • 👀 I’m interested in improving computational quantum chemistry methodsusing tools including quantum many-body methods,machine learning,and quantum computing
  • 🌱 I’m currently learning machine learning and quantum computing
  • 💞️ I’m looking to collaborate on scientific software tools
  • 📫 You reach me via email listed in my profile

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  1. pyscf_ase_github pyscf_ase_github Public

    Project to have PySCF interface with ASE front-end environment for density functional theory approximations

    Python 5 3

  2. co2_MO co2_MO Public

    Use tight binding method on CO2 solid

    Gnuplot

  3. handson_pwscf handson_pwscf Public

    Script that prints total energy from output file

    Shell

  4. super_atomic_crystals super_atomic_crystals Public

    Materials science project that contains the input files and python scripts to perform electronic structure calculations on Re6Se8Cl2.

    Shell