Particle simulations often require the use of HPC architectures for which N-body codes need to be adapted to allow faster executions and bigger simulations, thus decreasing the time to get simulation results or enabling more accurate simulations. I employ algorithm and performance engineering to improve the performance, scalability, and load balancing of the MD code ls1 mardyn. These improvements resulted in speedups of more than 3x for real-world scenarios and up to 130x for benchmark problems.     «

Particle simulations often require the use of HPC architectures for which N-body codes need to be adapted to allow faster executions and bigger simulations, thus decreasing the time to get simulation results or enabling more accurate simulations. I employ algorithm and performance engineering to improve the performance, scalability, and load balancing of the MD code ls1 mardyn. These improvements resulted in speedups of more than 3x for real-world scenarios and up to 130x for benchmark problem...     »