The Art of High Performance Computing for Computational Science, Vol. 2 Advanced Techniques and Examples for Materials Science /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Geshi, Masaaki (Editor, http://id.loc.gov/vocabulary/relators/edt)
• Format: Electronic eBook
• Language: English
• Published: Singapore : Springer Singapore : Imprint: Springer, 2019.
• Edition: 1st ed. 2019.
• Subjects: Computer programming.; Chemoinformatics.; Computer simulation.; Programming Techniques.; Computer Applications in Chemistry.; Simulation and Modeling.

This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computational sciences such as physics, chemistry, bi...

Table of Contents:

• Chapter 1: Supercomputers and application performance
• Chapter 2: Performance optimization of applications
• Chapter 3: Case studies of performance optimization of applications
• Chapter 4: O(N) methods
• Chapter 5: Acceleration of Classical Molecular Dynamics Simulations
• Chapter 6: Large scale quantum chemical calculation.