Works Categories: Molecular Dynamics

  • Molecular Dynamics Simulator

    Molecular Dynamics Simulator

    Introduction This is a molecular dynamics simulator I programmed in Fortran in order to understand MD in more detail. Periodic boundary conditions, energy minimizer, thermostat and barostat, as well as a correct physical scale and forcefields for the noble gasses are already implemented and working well. Future steps might include parallelization of the calculation of…

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