| TweTriS: Twenty trillion-atom simulation N Tchipev, S Seckler, M Heinen, J Vrabec, F Gratl, M Horsch, ... The International Journal of High Performance Computing Applications 33 (5 …, 2019 | 85 | 2019 |
| Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient F Diewald, MP Lautenschlaeger, S Stephan, K Langenbach, C Kuhn, ... Computer Methods in Applied Mechanics and Engineering 361, 112773, 2020 | 41 | 2020 |
| Autopas: Auto-tuning for particle simulations FA Gratl, S Seckler, N Tchipev, HJ Bungartz, P Neumann 2019 IEEE International Parallel and Distributed Processing Symposium …, 2019 | 41 | 2019 |
| N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas FA Gratl, S Seckler, HJ Bungartz, P Neumann Computer Physics Communications 273, 108262, 2022 | 22 | 2022 |
| Droplet coalescence by molecular dynamics and phase-field modeling M Heinen, M Hoffmann, F Diewald, S Seckler, K Langenbach, J Vrabec Physics of Fluids 34 (4), 2022 | 21 | 2022 |
| Load balancing for molecular dynamics simulations on heterogeneous architectures S Seckler, N Tchipev, HJ Bungartz, P Neumann 2016 IEEE 23rd international conference on high performance computing (HIPC …, 2016 | 20 | 2016 |
| AutoPas in ls1 mardyn: Massively parallel particle simulations with node-level auto-tuning S Seckler, F Gratl, M Heinen, J Vrabec, HJ Bungartz, P Neumann Journal of Computational Science 50, 101296, 2021 | 17 | 2021 |
| Skasim–scalable HPC software for molecular simulation in the chemical industry J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... Chemie Ingenieur Technik 90 (3), 295-306, 2018 | 6 | 2018 |
| SkaSim-Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... | 5 | 2018 |
| Load balancing and auto-tuning for heterogeneous particle systems using ls1 MARDYN S Seckler, F Gratl, N Tchipev, M Heinen, J Vrabec, HJ Bungartz, ... High Performance Computing in Science and Engineering'19: Transactions of …, 2021 | 2 | 2021 |
| Petaflop molecular dynamics for engineering applications P Neumann, N Tchipev, S Seckler, M Heinen, J Vrabec, HJ Bungartz High Performance Computing in Science and Engineering'18: Transactions of …, 2019 | 2 | 2019 |
| Autopas: a library for n-body simulations enabling optimal node-level performance through auto-tuning FA Gratl, S Seckler, N Tchipev, P Neumann, HJ Bungartz CoSaS, 2018 | 2 | 2018 |
| Towards Autotuning Between OpenMP Schemes for Molecular Dynamics on Intel Xeon Phi N Tchipev, A Costinescu, S Seckler, P Neumann, HJ Bungartz SIAM Conference on Computational Science and Engineering, 2017 | 2 | 2017 |
| Algorithm and Performance Engineering for HPC Particle Simulations S Seckler Technische Universität München, 2021 | 1 | 2021 |
| MPI-OpenMP load balanced simulation of inhomogeneous particle systems in ls1 mardyn at extreme scale S Seckler, N Tchipev, M Heinen, FA Gratl, HJ Bungartz, P Neumann SIAM CSE 2019 Spokane, 2019 | 1 | 2019 |
| Dynamic molecular dynamics ensembles for multiscale simulation coupling P Neumann, N Wittmer, V Jafari, S Seckler, M Heinen International Conference on High Performance Computing in Science and …, 2021 | | 2021 |
| Load Balanced Particle Simulation with Automated Algorithm Selection P Neumann, F Gratl, S Seckler, HJ Bungartz High Performance Computing in Science and Engineering'20: Transactions of …, 2021 | | 2021 |
| Optimizing Molecular Dynamics Simulations with Dynamic Auto-Tuning FA Gratl SIAM Conference on Parallel Processing for Scientific Computing 2020, 2020 | | 2020 |
| Auto-Tuning for Short-range Particle Simulation FA Gratl, S Seckler, N Tchipev, P Neumann, HJ Bungartz PASC, 2019 | | 2019 |
| AutoPas & ls1 mardyn: Enabling Auto-Tuning in MPI+ X Load-Balanced Molecular Dynamics Simulations S Seckler, FA Gratl, HJ Bungartz, P Neumann Particles 2019, 2019 | | 2019 |
