| ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems C Niethammer, S Becker, M Bernreuther, M Buchholz, W Eckhardt, ... Journal of chemical theory and computation 10 (10), 4455-4464, 2014 | 163 | 2014 |
| 591 TFLOPS multi-trillion particles simulation on SuperMUC W Eckhardt, A Heinecke, R Bader, M Brehm, N Hammer, H Huber, ... Supercomputing: 28th International Supercomputing Conference, ISC 2013 …, 2013 | 103 | 2013 |
| Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics A Heinecke, W Eckhardt, M Horsch, HJ Bungartz Springer, 2015 | 31 | 2015 |
| A blocking strategy on multicore architectures for dynamically adaptive PDE solvers W Eckhardt, T Weinzierl Parallel Processing and Applied Mathematics: 8th International Conference …, 2010 | 22 | 2010 |
| An efficient vectorization of linked-cell particle simulations W Eckhardt, A Heinecke Proceedings of the 9th conference on Computing Frontiers, 241-244, 2012 | 18 | 2012 |
| A precompiler to reduce the memory footprint of multiscale PDE solvers in C++ HJ Bungartz, W Eckhardt, T Weinzierl, C Zenger Future Generation Computer Systems 26 (1), 175-182, 2010 | 18 | 2010 |
| Optimized force calculation in molecular dynamics simulations for the intel xeon phi N Tchipev, A Wafai, CW Glass, W Eckhardt, A Heinecke, HJ Bungartz, ... Euro-Par 2015: Parallel Processing Workshops: Euro-Par 2015 International …, 2015 | 16 | 2015 |
| Hybrid molecular–continuum methods: From prototypes to coupling software P Neumann, W Eckhardt, HJ Bungartz Computers & Mathematics with Applications 67 (2), 272-281, 2014 | 14 | 2014 |
| DaStGen—A data structure generator for parallel C++ HPC software HJ Bungartz, W Eckhardt, M Mehl, T Weinzierl Computational Science–ICCS 2008: 8th International Conference, Kraków …, 2008 | 12 | 2008 |
| Efficient hpc implementations for large-scale molecular simulation in process engineering WF Eckhardt Technische Universität München, 2014 | 10 | 2014 |
| Memory-efficient implementation of a rigid-body molecular dynamics simulation W Eckhardt, T Neckel 2012 11th International Symposium on Parallel and Distributed Computing, 103-110, 2012 | 10 | 2012 |
| Molecular dynamics simulation A Heinecke, W Eckhardt, M Horsch, HJ Bungartz, A Heinecke, W Eckhardt, ... Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion …, 2015 | 8 | 2015 |
| On-the-fly memory compression for multibody algorithms W Eckhardt, R Glas, D Korzh, S Wallner, T Weinzierl Parallel Computing: On the Road to Exascale, 421-430, 2016 | 7 | 2016 |
| Supercomputing-XXVIII. International Supercomputing Conference (ISC 2013), Vol. 7905 of LNCS W Eckhardt, A Heinecke, R Bader, M Brehm, N Hammer, H Huber, ... Springer, Heidelberg, 2013 | 6 | 2013 |
| Vectorization of multi-center, highly-parallel rigid-body molecular dynamics simulations W Eckhardt, A Heinecke, W Hölzl, HJ Bungartz Supercomputing, The International Conference for High Performance Computing …, 2013 | 5 | 2013 |
| Parallelization of MD Algorithms and Load Balancing A Heinecke, W Eckhardt, M Horsch, HJ Bungartz, A Heinecke, W Eckhardt, ... Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion …, 2015 | 4 | 2015 |
| A radial distribution function-based open boundary force model for multi-centered molecules P Neumann, W Eckhardt, HJ Bungartz International Journal of Modern Physics C 25 (06), 1450008, 2014 | 3 | 2014 |
| SuperMUC boosts the largest molecular dynamics simulation by 4X in number of particles W Eckhardt, A Heinecke inside-Innovatives Supercomputing in Deutschland 11 (1), 2013 | 3 | 2013 |
| All good things come in threes: Current software and algorithmic developments for molecular dynamics-lattice boltzmann simulations P Neumann, P Hoffmann, W Eckhardt, J Harting Institut für Informatik, Technische Universität München, Zaragoza, 2011 | 2 | 2011 |
| Innovative HPC Methods and Application to Highly Scalable Molecular Simulation (IMEMO) C Niethammer, CW Glass, M Bernreuther, S Becker, T Windmann, ... Inside-Innovatives Supercomputing in Deutschland 10 (1), 2012 | 1 | 2012 |
