Rapaport, D. C.,
The art of molecular dynamics simulation / D.C. Rapaport. - Second edition. - 1 online resource (xiii, 549 pages) : digital, PDF file(s).
Title from publisher's bibliographic system (viewed on 05 Oct 2015).
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
9780511816581 (ebook)
Condensed matter--Computer simulation.
Molecular dynamics--Computer simulation.
QC173.457.C64 / R37 2004
539/.6
The art of molecular dynamics simulation / D.C. Rapaport. - Second edition. - 1 online resource (xiii, 549 pages) : digital, PDF file(s).
Title from publisher's bibliographic system (viewed on 05 Oct 2015).
The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
9780511816581 (ebook)
Condensed matter--Computer simulation.
Molecular dynamics--Computer simulation.
QC173.457.C64 / R37 2004
539/.6