@article{GrunzkeBreuersGesingetal.2013, author = {Richard Grunzke and Sebastian Breuers and Sandra Gesing and Sonja Herres-Pawlis and Martin Kruse and Dirk Blunk and Luis de la Garza and Lars Packschies and Patrick Sch{\"a}fer and Charlotta Sch{\"a}rfe and Tobias Schlemmer and Thomas Steinke and Bernd Schuller and Ralph M{\"u}ller-Pfefferkorn and Ren{\´e} J{\"a}kel and Wolfgang Nagel and Malcolm Atkinson and Jens Kr{\"u}ger}, title = {Standards-based metadata management for molecular simulations}, journal = {Concurrency and Computation: Practice and Experience}, doi = {10.1002/cpe.3116}, year = {2013}, }