Supported Software

  • Gaussian

    Industry-standard electronic structure package for quantum chemical calculations.

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  • GAMESS

    General Atomic and Molecular Electronic Structure System for ab initio methods.

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  • ORCA

    Modern, efficient quantum chemistry program for spectroscopy and reactivity studies.

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  • MCTDH

    Multi-Configuration Time-Dependent Hartree method for quantum dynamics simulations.

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