1st Edition
Parallel Computing in Quantum Chemistry
232 Pages
by
CRC Press
230 Pages
by
CRC Press
232 Pages
by
CRC Press
Also available as eBook on:
An In-Depth View of Hardware Issues, Programming Practices, and Implementation of Key Methods Exploring the challenges of parallel programming from the perspective of quantum chemists, Parallel Computing in Quantum Chemistry thoroughly covers topics relevant to designing and implementing parallel quantum chemistry programs. Focusing on good parallel program design and performance... Read more
Introduction. Parallel Computer Architectures. Communication via Message-Passing. Multi-Threading.Parallel Performance Evaluation.Parallel Program Design.Two-Electron Integral Evaluation.The Hartree–Fock Method.Second-Order Møller–Plesset Perturbation Theory.Local Møller–Plesset Perturbation Theory. Appendices. Index.
Biography
Janssen, Curtis L.; Nielsen, Ida M. B.
