The first reference of its kind in the rapidly emerging field of
computational approachs to materials research, this is a compendium
of perspective-providing and topical articles written to inform
students and non-specialists of the current status and capabilities
of modelling and simulation. From the standpoint of methodology,
the development follows a multiscale approach with emphasis on
electronic-structure, atomistic, and mesoscale methods, as well as
mathematical analysis and rate processes. Basic models are treated
across traditional disciplines, not only in the discussion of
methods but also in chapters on crystal defects, microstructure,
fluids, polymers and soft matter. Written by authors who are
actively participating in the current development, this collection
of 150 articles has the breadth and depth to be a major contributor
toward defining the field of computational materials. In addition,
there are 40 commentaries by highly respected researchers,
presenting various views that should interest the future
generations of the community.
Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts
University; Richard Catlow, Royal Institution; Long-Qing Chen,
Pennsylvania State University; William Curtin, Brown University;
Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory;
Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi
State University; Efthimios Kaxiras, Harvard University; L.
Mahadevan, Harvard University; Dimitrios Maroudas, University of
Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of
California Santa Barbara; Gregory C. Rutledge, MIT; David J.
Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter
Wolf, ArgonneNational Laboratory.
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