Software Development

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The growth of the field of computer simulation of fluid-like systems has been made possible by the steady and rapid increase of computing power over the last decades: an order of magnitude every 5-7 years. This trend will continue in the near future, since the present growth of computing power is based on the introduction of parallelism. It is investigated how the possibilities of parallel computation can be most efficiently exploited in MD software for biomolecular systems. Further, the use of specialised hardware to speed up the simulations is investigated.

The developed algorithms have, together with other simulation algorithms, found their way into the biomolecular simulation software package GROMOS (Groningen Molecular Simulation), which has been and is developed in the group [95.35, 96.40, 99.10, 05.32, 10.06, 11.25, 11.27, 11.30, 12.04, 12.05, 12.23, 14.11]. This simulation software is used in hundreds of laboratories in 60 countries on all continents.

The references to publications are coded according to the IGC MD publication list (PDF, 959 KB).

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Fri Jun 23 08:41:56 CEST 2017
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