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Books > Professional & Technical > Mechanical engineering & materials > Materials science
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Atomic Structure Prediction of Nanostructures, Clusters and Surfaces (Hardcover)
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Atomic Structure Prediction of Nanostructures, Clusters and Surfaces (Hardcover)
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This work fills the gap for a comprehensive reference conveying the
developments in global optimization of atomic structures using
genetic algorithms. Over the last few decades, such algorithms
based on mimicking the processes of natural evolution have made
their way from computer science disciplines to solid states physics
and chemistry, where they have demonstrated their versatility and
predictive power for many materials. Following an introduction and
historical perspective, the text moves on to provide an in-depth
description of the algorithm before describing its applications to
crystal structure prediction, atomic clusters, surface and
interface reconstructions, and quasi one-dimensional
nanostructures. The final chapters provide a brief account of other
methods for atomic structure optimization and perspectives on the
future of the field.
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