Materials Informatics
Elsevier - Health Sciences Division
Materials InformaticsMolecules, Crystals, and Beyond\nAuthor(s): Krishna Rajan\nFormat: Paperback\nPublisher: Elsevier - Health Sciences Division, United States\nImprint: Elsevier - Health Sciences Division\nISBN-13: 9780443222566, 978-0443222566\nSynopsis\nMaterials Informatics: Molecules, Crystals and Beyond discusses the role of information science in aiding the discovery and interpretation of multiscale relationships that are critical for materials discovery, design, and optimization. The book covers key challenges in applying information science methods to materials science, including the multidimensional nature of structure-property relationships, data sparsity, and the nature and sources of uncertainty, along with a brief overview of the algorithmic tools used for unsupervised and supervised learning.\n\nBuilding on these topics, chapters then cover the development of physics/chemistry informed data representations of structure and properties, the application of machine learni.
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