The book is devoted to the 70th birthday of Prof. Sergey M. Aizikovich, which will celebrated on August 2nd 2021. His scientific interests are related to the following topics: Mechanics of contact interactions, Functionally graded materials, Mechanics of fracture, Integral equat…
This important book is a collection of articles discussing computational studies of new materials. It is intended not only for workers in computational materials science, but also for people with a broader interest in the materials being discussed. The emphasis, therefore, is on…
Highlights some computational approaches to the study of new materials that include fullerenes, fractal clusters, charge transfer polymers, incommensurate crystals, and semiconductor nanostructures.
New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Mat…
Cover; Copyright; Editor Biographies; Contents; Chapter 1 Computational Materials Discovery: Dream or Reality?; Acknowledgements; References; Chapter 2 Computational Materials Discovery Using Evolutionary Algorithms; 2.1 A Bit of Theory; 2.1.1 Combinatorial Complexity of the Pro…
"New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Ma…
"New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem means that the computational design of materials is now a reality. Computational Ma…
A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
This book provides an overview of the experimental characterization of materials and their numerical modeling, as well as the development of new computational methods for virtual design. Its 17 contributions are divided into four main sections: experiments and virtual design, co…
This book provides an overview of the experimental characterization of materials and their numerical modeling, as well as the development of new computational methods for virtual design. Its 17 contributions are divided into four main sections: experiments and virtual design, co…
The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.
"Practical Multiscaling covers fundamental modelling techniques aimed at bridging diverse temporal and spatial scales ranging from the atomic level to a full-scale product level. It focuses on practical multiscale methods that account for fine-scale (material) details but do not…
