Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications (Texts in Computational Science and Engineering, Band 5) - Softcover

Griebel, Michael; Knapek, Stephan; Zumbusch, Gerhard

Softcover

ISBN 10: 3642087760 ISBN 13: 9783642087769

Verlag: Springer, 2010

Inhaltsangabe

Particle models play an important role in many applications in physics, chemistry and biology. These can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates such aspects as modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text goes on to offer detailed explanations of the different steps of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn step by step how to write programs capable of running successful experiments for molecular dynamics.

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Über die Autorin bzw. den Autor

Michael Griebel received his education at the Technical University of Munich, Germany. He is a professor at the Institute for Numerical Simulation at the University of Bonn, Germany, where he holds the Chair of Scientific Computing and Numerical Simulation. Additionally, he is the director of Fraunhofer SCAI (Institute for Algorithms and Scientific Computing), Sankt Augustin, Germany. His research interests include numerical simulation, scientific computing, machine learning, and high-dimensional approximation. Since 2002, he has served as the Editor-in-Chief of the Springer journal Numerische Mathematik. Peter Oswald received his education at Odessa State University and Moscow State University. He has held research, teaching, and professorship positions at various institutions, including TU Dresden, FSU Jena, Kuwait University, Texas A&M University, Bell Laboratories, Jacobs University Bremen, and the University of Bonn. His research interests include approximation theory, function spaces, and numerical analysis.

Details zur Ausgabe

• Verlag: Springer
• Erscheinungsdatum: 2010
• Sprache: Englisch
• ISBN 10: 3642087760
• ISBN 13: 9783642087769
• Einband: Taschenbuch
• Anzahl der Seiten: 488
• Kontakt zum Hersteller: ProductSafety@springernature.com; ProductSafety@springernature.com; ; Poststr. 9; Darmstadt; 64293; Deutschland