Showing 4 open source projects for "teaching"

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    WavePacket (C++/Python)

    WavePacket (C++/Python)

    Time-dependent simulation of open and closed quantum systems

    ...Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry. WavePacket is suitable for teaching quantum mechanics as well as for research projects in physics and chemistry. The present C++ version is an object-oriented rewrite of the existing Matlab version aiming to be more flexible. In particular, the goals are easy handling of open and closed systems and support for unusual setups.
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  • 2
    MolDynSim

    MolDynSim

    TrajLab subproject: Molecular dynamics simulations in MATLAB

    ...AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research and teaching! Started early 2010, MolDynSim is still in an early (alpha) stage, and any help in further development is highly appreciated. Developed mainly by B. Schmidt (FUB)
    Downloads: 0 This Week
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  • 3
    MetaStable

    MetaStable

    TrajLab subproject: Metastability analysis of molecular conformations

    ...AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in research and teaching! Started early 2010, MetaStable is still in an early (alpha) stage, and any help in further development is highly appreciated. Developed by B. Schmidt (FUB), F. Haack, S. Röblitz, and M. Weber (ZIB)
    Downloads: 0 This Week
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  • 4
    TrajLab

    TrajLab

    MATLAB based programs for trajectory simulations of molecules

    ...AMBER, GROMACS, NAMD, etc.), the MATLAB environment offers easy access to manipulating the codes, testing novel algorithms, non-standard force fields and performing all kinds of numerical experiments. To be used mainly in teaching!
    Downloads: 0 This Week
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