A Podcast for HPC Folk

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RCE 23: Gromacs

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Brock Palen and Jeff Squyres speak with Dr. David van der Spoel about Gromacs a free MD package.

David van der Spoel is a professor in Computational Molecular Biophysics at the university of Uppsala, Sweden. He received his Ph.D. in 1996 from the university of Groningen in the Netherlands, under the supervision of Prof. Herman Berendsen. Since 1997 he is associated with Uppsala University. He is one of the lead developers of the GROMACS molecular simulation software and has been involved in software development for high-performance computing for more than two decades. His research interests are in automated development of models for molecular simulations, and studies of proteins under non-physiological conditions, most notably in the gas-phase. He is also involved in development of web-services for molecular modeling.

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