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This book provides a unique and comprehensive overview of the
latest advances, challenges and accomplishments in the rapidly
growing field of theoretical and computational materials science.
Today, an increasing number of industrial communities rely more and
more on advanced atomic-scale methods to obtain reliable
predictions of materials properties, complement qualitative
experimental analyses and circumvent experimental difficulties. The
book examines some of the latest and most advanced simulation
techniques currently available, as well as up-to-date theoretical
approaches adopted by a selected panel of twelve international
research teams. It covers a wide range of novel and advanced
materials, exploring their structural, elastic, optical, mass and
electronic transport properties. The cutting-edge techniques
presented appeal to physicists, applied mathematicians and
engineers interested in advanced simulation methods in materials
science. The book can also be used as additional literature for
undergraduate and postgraduate students with majors in physics,
chemistry, applied mathematics and engineering.
This book provides a unique and comprehensive overview of the
latest advances, challenges and accomplishments in the rapidly
growing field of theoretical and computational materials science.
Today, an increasing number of industrial communities rely more and
more on advanced atomic-scale methods to obtain reliable
predictions of materials properties, complement qualitative
experimental analyses and circumvent experimental difficulties. The
book examines some of the latest and most advanced simulation
techniques currently available, as well as up-to-date theoretical
approaches adopted by a selected panel of twelve international
research teams. It covers a wide range of novel and advanced
materials, exploring their structural, elastic, optical, mass and
electronic transport properties. The cutting-edge techniques
presented appeal to physicists, applied mathematicians and
engineers interested in advanced simulation methods in materials
science. The book can also be used as additional literature for
undergraduate and postgraduate students with majors in physics,
chemistry, applied mathematics and engineering.
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