IMD: A Typical Massively Parallel Molecular Dynamics Code for Classical Simulations – Structure, Applications, Latest Developments

We give a short description of IMD, a classical molecular dynamics package for the simulation of condensed matter. The properties of molecular dynamics simulations will be given with examples of their implementation in IMD. We further report on multi-scale simulations with IMD, the determination of accurate interactions with potfit and the porting of IMD to GPUs.

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