Publications

Paul Richmond, Dawn Walker, Simon Coakley, und Daniela Romano. High performance cellular level agent-based simulation with FLAME for the GPU. Briefings in bioinformatics, (11)3:334--347, Oxford Univ Press, 2010. [PUMA: simulations tools]

Michael Schappals, Andreas Mecklenfeld, Leif Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J. García, Gabor Rutkai, Gabriele Raabe, Peter Klein, Kai Leonhard, Colin W. Glass, Johannes Lenhard, Jadran Vrabec, und Hans Hasse. Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. Journal of Chemical Theory and Computation, (13)9:4270-4280, 2017. [PUMA: forschungsdaten motivation reproducibility chemistry simulations thermodynamics] URL

Richard Grunzke, Sebastian Breuers, Sandra Gesing, Sonja Herres-Pawlis, Martin Kruse, Dirk Blunk, Luis de la Garza, Lars Packschies, Patrick Schäfer, Charlotta Schärfe, Tobias Schlemmer, Thomas Steinke, Bernd Schuller, Ralph Müller-Pfefferkorn, René Jäkel, Wolfgang E. Nagel, Malcolm Atkinson, und Jens Krüger. Standards-based metadata management for molecular simulations. Concurrency and Computation: Practice and Experience, (26)10:1744--1759, 2014. [PUMA: forschungsdaten metadata simulations] URL