Supercomputing for Molecular Dynamics Simulations (kartoniertes Buch)

Describes the state-of-the-art algorithms and implementations essential for molecular simulation in chemical engineeringIncludes high-performance implementations of MD algorithms on current HPC systems covering shared-memory, distributed-memory parallelization and vectorizationPresents a special focus on hybrid systems using Intel Xeon processors and Intel Xeon Phi coprocessorsIncludes supplementary material: sn.pub/extras