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The Handbook of Materials Modeling, 2nd edition is a six-volume
major reference serving a steadily growing community at the
intersection of two mainstreams of global research: computational
science and materials science and technology. This extensively
expanded new edition reflects the significant developments in all
aspects of computational materials research over the past decade,
featuring progress in simulations at multiple scales and
increasingly more realistic materials models. Thematically
separated into two mutually dependent sets - "Methods: Theory and
Modeling (MTM)" and "Applications: Current and Emerging Materials
(ACE)" - the handbook runs the entire gamut from theory and methods
to simulations and applications. Readers benefit from its in-depth
coverage of a broad methodological spectrum extending from advanced
atomistic simulations of rare events to data-driven artificial
intelligence strategies for materials informatics in the set MTM,
as well as forefront emphasis on materials of far-ranging societal
importance such as photovoltaics and energy-relevant oxides, and
cutting-edge applications to materials for spintronic devices,
graphene, cement, and glasses in the set ACE. The thorough,
interconnected coverage of methods and applications, together with
a line-up of internationally acclaimed editors and authors, will
ensure the Handbook of Material Modeling's standing as an enduring
source of learning and inspiration for a global community of
computational materials scientists.
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, Argonne National Laboratory.
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