Datenbestand vom 13. Juni 2019

Warenkorb Datenschutzhinweis Dissertationsdruck Dissertationsverlag Institutsreihen     Preisrechner

WICHTIGER HINWEIS
DER VERLAG IST IN DER ZEIT VOM 12.06.2019 BIS 23.06.2019 AUSCHLIESSLICH PER EMAIL ERREICHBAR.

aktualisiert am 13. Juni 2019

ISBN 9783843917469

Euro 84,00 inkl. 7% MwSt


978-3-8439-1746-9, Reihe Informatik

Wolfgang Eckhardt
Efficient HPC Implementations for Large-Scale Molecular Simulation in Process Engineering

196 Seiten, Dissertation Technische Universität München (2014), Softcover, A5

Zusammenfassung / Abstract

Despite its long history in general, molecular simulation is just about to evolve as a methodology in engineering sciences.

Targeting applications in process engineering, this work presents enhancements of algorithms for molecular dynamics simulation together with efficient hardware-aware implementations. It focuses on optimisation strategies for short- and long-range molecular interactions on current CPU and GPU hardware as well as software-related aspects. The developments have been integrated into the code Mardyn, a powerful tool for large-scale MD simulations in process engineering, which allowed to perform the world's largest MD simulation in 2013.