Computational Materials Discovery

Computational Materials Discovery


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Product Details

ISBN-13: 9781782629610
Publisher: Royal Society of Chemistry, The
Publication date: 11/05/2018
Pages: 456
Product dimensions: 6.14(w) x 9.21(h) x (d)

Table of Contents

Computational Materials Discovery: Dream or Reality?; Computational Materials Discovery Using Evolutionary Algorithms; Applications of Machine Learning for Representing Interatomic Interactions; Embedding Methods in Materials Discovery; Chemical Bonding Investigations for Materials; Computational Design of Photovoltaic Materials; First-Principles Computational Approaches to Superconducting Transition Temperatures: Phonon-Mediated Mechanism and Beyond; Quest for New Thermoelectric Materials; Rational Design of Polymer Dielectrics: An Application of Density Functional Theory and Machine Learning; Rationalising and Predicting the Structure and Bonding of Bare and Ligated Transition Metal Clusters and Nanoparticles; Recent Advances in the Theory of Non-carbon Nanotubes; Discovery of Novel Topological Materials Via High-throughput Computational Search; Computational Discovery of Organic LED Materials

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