Computational materials discovery. (2018)

• Record Type: Book
• Further Information: Note: Edited by Artem R. Oganov, Gabriele Saleh, Alexander G. Kvashnin.
• Editors: Oganov, Artem R (Artem Romaevich); Saleh, Gabriele; Kvashnin, Alexander G
• 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
• Publisher Details: Place of publication not identified : Royal Society of Chemistry
• Publication Date: 2018
• Extent: 1 online resource (456 pages)
• Subjects: 620.110285; SCIENCE / Chemistry / Computational & Molecular Modeling; TECHNOLOGY & ENGINEERING / Materials Science / General; Nanotechnology; Materials science; Materials science -- Computer simulation; Materials -- Mathematical models
• Languages: English
• ISBNs: 9781788015622; 1788015622
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.