Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support. Journal of Grid Computing, (15)1:41--53, Mar 1, 2017. [PUMA: engineering md metadata] URL
A Cloud-based Data Farming Platform for Molecular Dynamics Simulations. Utility and Cloud Computing (UCC), 579 - 584, IEEE, December 2014. [PUMA: Cloud Data HLRS MD SCOPE computing farming myown simulations]
Performance evaluation and optimization of the ls1-MarDyn Molecular Dynamics code on the Cray XE6. Proceedings of the Cray User Groop 2012, 2012. [PUMA: Cray MD hlrs optimization performance spmt]
A Cloud-Based Data Farming Platform for Molecular Dynamics Simulations. Utility and Cloud Computing (UCC), 2014 IEEE/ACM 7th International Conference on, 579-584, December 2014. [PUMA: MD Scalarm cloud data-farming hlrs myown simulation spmt]
ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems. Journal of Chemical Theory and Computation, (10)10:4455-4464, 2014. [PUMA: MD hlrs myown parallel program programming simulation spmt] URL
Performance Evaluation of Unified Parallel C for Molecular Dynamics. 7th International Conference on PGAS Programming Models, 237, 2013. [PUMA: MD PGAS UPC hlrs myown spmt]