5 projects for "ab" with 2 filters applied:

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  • 1
    pyxaid

    pyxaid

    PYthon eXtension for Ab Initio Dynamics

    Downloads: 0 This Week
    Last Update:
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  • 2

    ANT.1D

    Quantum transport for tight-binding and ab initio Hamiltonians

    ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes.
    Downloads: 0 This Week
    Last Update:
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  • 3
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    ...The machine-readable optical property database is available for download and as a web service and makes available the full spectral optical properties of over 150 materials from both ab initio calculations and experimental measurements.
    Downloads: 1 This Week
    Last Update:
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  • 4

    psicode

    An open-source quantum chemistry program package

    PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
    Downloads: 2 This Week
    Last Update:
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  • 5
    (AB)² Simulation

    (AB)² Simulation

    Simulation for Physics / Bilogics Systems

    Supports flow Simulation for Physics and Meso-Compartimental Simulations for Biological Systems. Uses a Container-Flow based System.
    Downloads: 1 This Week
    Last Update:
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