The MoSGrid - e-science gateway: molecular simulations in a distributed computing environment
Lars Packschies,Georg Birkenheuer,Dirk Blunk,Sebastian Breuers,André Brinkmann,Ines dos Santos Vieira,Gregor Fels,Sandra Gesing,Richard Grunzke,Sonja Herres-Pawlis,Oliver Kohlbacher,Jens Krüger,Martin Kruse,Ulrich Lang,Ralph Müller-Pfefferkorn,Patrick Schäfer,Tobias Schlemmer,Thomas Steinke,Klaus-Dieter Warzecha,Andreas Zink J. Cheminformatics(2013)
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Molecular Dynamics, Open Source, Quantum Chemistry, Powerful Computing, Scientific Theory
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