Andreoni Handbook of Materials Modeling

Handbook of Materials Modeling

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Methods: Theory and Modeling

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Beschreibung

This Handbook contains a set of articles introducing the modeling and simulation of materials from the standpoint of basic methods and studies. The intent is to provide a compendium that is foundational to an emerging ?eld of computational research, a new discipline that may now be called Compu- tional Materials. This area has become suf?ciently diverse that any attempt to cover all the pertinent topics would be futile. Even with a limited scope, the present undertaking has required the dedicated efforts of 13 Subject Editors to set the scope of nine chapters, solicit authors, and collect the manuscripts. The contributors were asked to target students and non-specialists as the primary audience, to provide an accessible entry into the ?eld, and to offer references for further reading. With no precedents to follow, the editors and authors were only guided by a common goal –to produce a volume that would set a standard toward de?ning the broad community and stimulating its growth. The idea of a reference work on materials modeling surfaced in conver- tions with Peter Bin?eld, then the Reference Works Editor at Kluwer Academic Publishers, in the spring of 1999. The rationale at the time already seemed quite clear – the ?eld of computational materials research was t- ing off, powerful computer capabilities were becoming increasingly available, and many sectors of the scienti?c community were getting involved in the enterprise.

Serves as an authoritative source of methods

Emphasizes materials of far-ranging societal importance

Includes coverage of advanced atomistic simulations of rare events and data-driven artificial intelligence strategies

Includes supplementary material: sn.pub/extras


The long-awaited updated edition of a classic reference work on materials modeling and simulation across length and time scales

Presents a definitive collection of articles on electronic-structure and atomistic methods for graduate students 

Serves as authoritative handbook spanning the vast extent of materials modeling methods and their applications to real materials

Enriched with the topical interest areas that foresee applications of multiscale modeling in interdisciplinary settings  



Title is also available as part of a set: Handbook of Materials Modeling (978-3-319-44678-3)

Autor*in

Wanda Andreoni

Themen in »Handbook of Materials Modeling«

Quantum Mechanics/ Molecular Mechanics (QM/MM) Time-Dependent Density Functional Theory (TDDFT) Multiscale materials modeling Coarse-grained models Atomistic simulations Microstructure evolution Computational materials science reference Materials modelling reference

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Details

ISBN: 9783319446783
Verlag: Springer International Publishing
Erscheinung: 28.03.2020

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