TY  - BOOK
AU  - Andreoni, Wanda 
AU  - Yip, Sidney 
TI  - Handbook of materials modeling : : methods: theory and modeling
SN  - 9783319446769
U1  - 620.1 
PY  - 2020///
CY  - Switzerland
PB  - Springer Cham, 
KW  - Chemistry, Physical and theoretical
KW  - Numerical and Computational Physics, Simulation
KW  - Nanotechnology
KW  - Solid Mechanics
KW  - Theoretical and Computational Chemistry
KW  - Condensed Matter Physics
KW  - Time-Dependent Density Functional Theory (TDDFT)
KW  - Multiscale materials modeling
KW  - Quantum Mechanics/ Molecular Mechanics (QM/MM)
KW  - Mechanics (physics)
KW  - Mechanics
KW  - Mechanics, Applied
N1  - Includes bibliographical references and index
N2  - 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
UR  - https://link.springer.com/content/pdf/bfm:978-3-319-44677-6/1?pdf=chapter%20toc
ER  -