Supercomputing for Molecular Dynamics Simulations - Handling Multi-Trillion Particles in Nanofluidics
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Describes the state-of-the-art algorithms and implementations essential for molecular simulation in chemical engineering
Includes high-performance implementations of MD algorithms on current HPC systems covering shared-memory, distributed-memory parallelization and vectorization
Presents a special focus on hybrid systems using Intel Xeon processors and Intel Xeon Phi coprocessors