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Viser: Coarse-Grain Simulation
Coarse-Grain Simulation
Russell DeVane og Preston Moore
(2019)
Sprog: Engelsk
Taylor & Francis Group
1.531,00 kr.
Denne bog er endnu ikke udgivet. Den forventes May 2019.
Detaljer om varen
- Hardback: 248 sider
- Udgiver: Taylor & Francis Group (Maj 2019)
- Forfattere: Russell DeVane og Preston Moore
- ISBN: 9781439852712
Written for graduate students, researchers, and professionals in the field of materials modeling, this reference provides a concise description of coarse graining. It reviews a broad range of approaches and methods used in the field and offers hands-on, practical information. Chapters describe what coarse materials are used for, when and how to use them, how to analyze their data, and how to test sanity and reliability. This reference connects the fundamental background and theory of coarse graining to its implementation and use in real-world problems.
Introduction/Background History of the subject (literature review and historical perspective) Theoretical/physical background overview Statistical mechanics Thermodynamics Kinetics Practical considerations Structural considerations Energy/force considerations Thermodynamic considerations Correlation functions Force field choice Martin, Klein, Polymer, etc. Parameterizaiton of new moieties Programs of choice Lamps, Gromacs, NAMD, etc. Some case studies Analysis of computations Structural Dynamical Energies Lipid bilayers and vesicles Proteins Polymers Pro and con of different methods Advanced topics Converting between AA->CG->AA Multiscale methods - running both AA and CG in one simulation
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