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Title:
Parallel computing in quantum chemistry
Author:
Janssen, Curtis L., author.
ISBN:
9780429149412
Physical Description:
1 online resource (232 pages)
Contents:
part Part I: Parallel Computing Concepts and Terminology -- chapter 1 Introduction -- chapter 2 Parallel Computer Architectures -- chapter 3 Communication via Message-Passing -- chapter 4 Multi-Threading -- chapter 5 Parallel Performance Evaluation -- chapter 6 Parallel Program Design -- part Part II: Applications of Parallel Programming in Quantum Chemistry -- chapter 7 Two-Electron Integral Evaluation -- chapter 8 The Hartree–Fock Method -- chapter 9 Second-Order Møller–Plesset Perturbation Theory -- chapter 10 Local Møller–Plesset Perturbation Theory -- chapter Appendices A A Brief Introduction to MPI -- chapter B Pthreads: Explicit Use of Threads -- chapter C OpenMP: Compiler Extensions for Multi-Threading.
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E-Book 539080-1001 QD462.6 .D38 J36 2008
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