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  • RWTH Aachen University
  • Aachen

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@grimme-lab

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Popular repositories Loading

  1. xtb4stda xtb4stda Public

    Forked from grimme-lab/xtb4stda

    sTDA-xTB Hamiltonian for ground state

    Fortran

  2. stda stda Public

    Forked from grimme-lab/stda

    stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)

    Fortran

  3. xtb xtb Public

    Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Fortran

  4. QuTree QuTree Public

    Forked from roman-ellerbrock/QuTree

    A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications

    C++

  5. crest crest Public

    Forked from crest-lab/crest

    Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package

    Fortran

  6. aimsprop aimsprop Public

    Forked from mtzgroup/aimsprop

    A repository for the representation and manipulation of AIMS-type trajectories, particularly for use in computing time-dependent properties (bond lengths, angles, torsions, X-ray scattering, UED, p…

    Python