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vijaymocherla/README.md

👋 Hi there, I’m @vijaymocherla.

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  1. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

  2. nwchem nwchem Public

    Forked from nwchemgit/nwchem

    NWChem: Open Source High-Performance Computational Chemistry

    Fortran

  3. MCMD MCMD Public

    Examples of Monte Carlo (MC) and Molecular Dyanamics (MD) simulations written in Python, Fortran and C++.

    Jupyter Notebook

  4. endyn endyn Public

    A python package for simulating electron-nuclear dynamics.

    Python

  5. si_hhg_gaussian_basissets si_hhg_gaussian_basissets Public

    Supplementary data for our study on using the TDCI approach with Gaussian basis sets for simulating higher-harmonic generation (HHG)

    Jupyter Notebook