- ホーム
- > 洋書
- > 英文書
- > Science / Mathematics
Full Description
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.
Contents
Introduction/BackgroundHistory of the subject (literature review and historical perspective)Theoretical/physical background overviewStatistical mechanicsThermodynamicsKineticsPractical considerationsStructural considerationsEnergy/force considerationsThermodynamic considerationsCorrelation functionsForce field choiceMartin, Klein, Polymer, etc.Parameterizaiton of new moietiesPrograms of choiceLamps, Gromacs, NAMD, etc.Some case studiesAnalysis of computationsStructuralDynamicalEnergiesLipid bilayers and vesiclesProteinsPolymersPro and con of different methodsAdvanced topicsConverting between AA->CG->AAMultiscale methods - running both AA and CG in one simulation
