Computational Materials Discovery

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Release : 2018-10-30
Genre : Science
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Book Rating : 610/5 ( reviews)

Computational Materials Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Materials Discovery write by Artem Oganov. This book was released on 2018-10-30. Computational Materials Discovery available in PDF, EPUB and Kindle. A unique and timely book providing an overview of both the methodologies and applications of computational materials design.

Computational Materials Discovery

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Release : 2018
Genre : Materials
Kind :
Book Rating : 936/5 ( reviews)

Computational Materials Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Materials Discovery write by Artem Romaevich Oganov. This book was released on 2018. Computational Materials Discovery available in PDF, EPUB and Kindle. A unique and timely book providing an overview of both the methodologies and applications of computational materials design.

Information Science for Materials Discovery and Design

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Release : 2015-12-12
Genre : Technology & Engineering
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Book Rating : 71X/5 ( reviews)

Information Science for Materials Discovery and Design - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Information Science for Materials Discovery and Design write by Turab Lookman. This book was released on 2015-12-12. Information Science for Materials Discovery and Design available in PDF, EPUB and Kindle. 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.

Introduction to Computational Materials Science

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Release : 2013-03-28
Genre : Technology & Engineering
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Book Rating : 144/5 ( reviews)

Introduction to Computational Materials Science - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Introduction to Computational Materials Science write by Richard LeSar. This book was released on 2013-03-28. Introduction to Computational Materials Science available in PDF, EPUB and Kindle. Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the teaching package. Modelling is examined at a broad range of scales, from the atomic to the mesoscale, providing students with a solid foundation for future study and research. Detailed, accessible explanations of the fundamental equations underpinning materials modelling are presented, including a full chapter summarising essential mathematical background. Extensive appendices, including essential background on classical and quantum mechanics, electrostatics, statistical thermodynamics and linear elasticity, provide the background necessary to fully engage with the fundamentals of computational modelling. Exercises, worked examples, computer codes and discussions of practical implementations methods are all provided online giving students the hands-on experience they need.

Computational Technologies in Materials Science

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Release : 2021-10-06
Genre : Science
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Book Rating : 748/5 ( reviews)

Computational Technologies in Materials Science - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computational Technologies in Materials Science write by Shubham Tayal. This book was released on 2021-10-06. Computational Technologies in Materials Science available in PDF, EPUB and Kindle. • Covers material testing and development using computational intelligence • Highlights the technologies to integrate computational intelligence and materials sciences • Discusses how computational tools can generate new materials with advanced applications • Details case studies and detailed applications • Investigates challenges in developing and using computational intelligence in materials science • Analyzes historic changes that are taking place in designing of materials