• CECAM MolSim Workshop

    I went to the MolSim course hosted by the University of Amsterdam in January.

    It’s a 2 week course in Molecular Dynamics aimed at Computational Chemists. It had an interesting structure that involved 3 hours of lectures every morning followed by practical hands-on approach to programming some of the algorithms involved in the Monte Carlo (MC) and Molecular Dynamics (MD) simulations. Listening to 3 hours of lectures following the origin of lengthy mathematical algorithms and their computational optimisation was slightly intense at the best of times, but the afternoon hands-on programming sessions were very useful to understand the mechanics and get a good feel for how quickly these calculations run.

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