Many of the most important properties of materials in high-technology applications are strongly influenced or even controlled by the presence of solid interfaces. In this work, leading international authorities review the broad range of subjects in this field focusing on the atomic level properties of solid interfaces.

The conceptualization of a problem (modeling) and the computational solution of this problem (simulation), is the foundation of Computational Science. This coupled endeavor is unique in several respects. It allows practically any complex system to be analyzed with predictive capability by invoking the multiscale paradigm linking unit-process models at lower length (or time) scales where fundamental principles have been established to calculations at the system level.

The community of multiscale materials modeling has evolved into a multidisciplinary group with a number of identified problem areas of interest. Sidney Yip and Tomas Diaz De La Rubia, the editors of this volume, have gathered 18 contributions that showcase the conceptual advantages of modeling which, coupled with the unprecedented computing power through simulations, allow scientists to tackle the formibable problems of our society, such as the search for hydrocarbons, understanding the structure of a virus, or the intersection between simulations and real data in extreme environments.

Scientific Modeling and Simulations advocates the scientific virtues of modeling and simulation, and also encourages the cross fertilization between communities, exploitations of high-performance computing, and experiment-simulation synergies.

The contents of this book were previously published in Scientific Modeling and Simulations, Vol 15, No. 1-3, 2008.

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This book is a treatment on the foundational knowledge of Nuclear Science and Engineering. It is an outgrowth of a first-year graduate-level course which the author has taught over the years in the Department of Nuclear Science and Engineering at MIT. The emphasis of the book is on concepts in nuclear science and engineering in contrast to the traditional nuclear physics in a nuclear engineering curriculum. The essential difference lies in the importance we give to the understanding of nuclear radiation and their interactions with matter. We see our students as nuclear engineers who work with all kinds of nuclear devices, from fission and fusion reactors to accelerators and detection systems. In all these complex systems nuclear radiation play a central role. In generating nuclear radiation and using them for beneficial purposes, scientists and engineers must understand the properties of the radiation and how they interact with their surroundings. It is through the control of radiation interactions that we can develop new devices or optimize existing ones to make them more safe, powerful, durable, or economical. This is why radiation interaction is the essence of this book.

This book is a treatment on the foundational knowledge of Nuclear Science and Engineering. It is an outgrowth of a first-year graduate-level course which the author has taught over the years in the Department of Nuclear Science and Engineering at MIT. The emphasis of the book is on concepts in nuclear science and engineering in contrast to the traditional nuclear physics in a nuclear engineering curriculum. The essential difference lies in the importance we give to the understanding of nuclear radiation and their interactions with matter. We see our students as nuclear engineers who work with all kinds of nuclear devices, from fission and fusion reactors to accelerators and detection systems. In all these complex systems nuclear radiation play a central role. In generating nuclear radiation and using them for beneficial purposes, scientists and engineers must understand the properties of the radiation and how they interact with their surroundings. It is through the control of radiation interactions that we can develop new devices or optimize existing ones to make them more safe, powerful, durable, or economical. This is why radiation interaction is the essence of this book.

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.