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  • University of Oslo
  • Oslo
  • 02:13 (UTC +01:00)

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@Cascella-Group-UiO

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  1. Cascella-Group-UiO/HyMD Cascella-Group-UiO/HyMD Public

    Massively parallel hybrid particle-field molecular dynamics in Python.

    Python 25 7

  2. variational-monte-carlo-fys4411 variational-monte-carlo-fys4411 Public

    Example class structure for use in FYS4411: Quantum mechanical systems at UiO.

    C++ 13 31

  3. HartreeFock HartreeFock Public

    A complete Hartree-Fock framework employing Gaussian basis functions written from scratch in C++.

    C++ 4 1

  4. TFPotential TFPotential Public

    An artificial neural network framework written to allow training on multi dimensional potential energy surface data set, resulting from ab initio calculations at e.g. the Hartree-Fock level of the…

    Python 1

  5. VMC VMC Public

    Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant…

    C++ 1