05624nam 22008295 450 991025404320332120200629115934.03-319-23871-X10.1007/978-3-319-23871-5(CKB)3710000000532695(EBL)4199780(SSID)ssj0001596994(PQKBManifestationID)16297971(PQKBTitleCode)TC0001596994(PQKBWorkID)14886413(PQKB)11754465(DE-He213)978-3-319-23871-5(MiAaPQ)EBC4199780(PPN)190885289(EXLCZ)99371000000053269520151212d2016 u| 0engur|n|---|||||txtccrInformation Science for Materials Discovery and Design /edited by Turab Lookman, Francis J. Alexander, Krishna Rajan1st ed. 2016.Cham :Springer International Publishing :Imprint: Springer,2016.1 online resource (316 p.)Springer Series in Materials Science,0933-033X ;225Description based upon print version of record.3-319-23870-1 Includes bibliographical references at the end of each chapters and index.From the Contents: Introduction -- Data-Driven Discovery of Physical, Chemical, and Pharmaceutical Materials -- Cross-Validation and Inference in Bioinformatics/Cancer Genomics -- Applying MQSPRs - New Challenges and Opportunities.This book deals with an information-driven approach to plan materials discovery and design, iterative learning. The authors present contrasting but complementary approaches, such as those based on high throughput calculations, combinatorial experiments or data driven discovery, together with machine-learning methods. Similarly, statistical methods successfully applied in other fields, such as biosciences, are presented. The content spans from materials science to information science to reflect the cross-disciplinary nature of the field. A perspective is presented that offers a paradigm (codesign loop for materials design) to involve iteratively learning from experiments and calculations to develop materials with optimum properties. Such a loop requires the elements of incorporating domain materials knowledge, a database of descriptors (the genes), a surrogate or statistical model developed to predict a given property with uncertainties, performing adaptive experimental design to guide the next experiment or calculation and aspects of high throughput calculations as well as experiments. The book is about manufacturing with the aim to halving the time to discover and design new materials. Accelerating discovery relies on using large databases, computation, and mathematics in the material sciences in a manner similar to the way used to in the Human Genome Initiative. Novel approaches are therefore called to explore the enormous phase space presented by complex materials and processes. To achieve the desired performance gains, a predictive capability is needed to guide experiments and computations in the most fruitful directions by reducing not successful trials. Despite advances in computation and experimental techniques, generating vast arrays of data; without a clear way of linkage to models, the full value of data driven discovery cannot be realized. Hence, along with experimental, theoretical and computational materials science, we need to add a “fourth leg’’ to our toolkit to make the “Materials Genome'' a reality, the science of Materials Informatics.Springer Series in Materials Science,0933-033X ;225NanotechnologyEngineering—MaterialsData miningStatistical physicsDynamical systemsMaterials scienceNanotechnologyhttps://scigraph.springernature.com/ontologies/product-market-codes/Z14000Materials Engineeringhttps://scigraph.springernature.com/ontologies/product-market-codes/T28000Data Mining and Knowledge Discoveryhttps://scigraph.springernature.com/ontologies/product-market-codes/I18030Complex Systemshttps://scigraph.springernature.com/ontologies/product-market-codes/P33000Characterization and Evaluation of Materialshttps://scigraph.springernature.com/ontologies/product-market-codes/Z17000Statistical Physics and Dynamical Systemshttps://scigraph.springernature.com/ontologies/product-market-codes/P19090Nanotechnology.Engineering—Materials.Data mining.Statistical physics.Dynamical systems.Materials science.Nanotechnology.Materials Engineering.Data Mining and Knowledge Discovery.Complex Systems.Characterization and Evaluation of Materials.Statistical Physics and Dynamical Systems.620.11Lookman Turabedthttp://id.loc.gov/vocabulary/relators/edtAlexander Francis Jedthttp://id.loc.gov/vocabulary/relators/edtRajan Krishnaedthttp://id.loc.gov/vocabulary/relators/edtMiAaPQMiAaPQMiAaPQBOOK9910254043203321Information Science for Materials Discovery and Design2541135UNINA