Publications

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: chemistry forschungsdaten motivation reproducibility simulations thermodynamics] URL