Materials Discovery and Design By Means of Data Science and Optimal

This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging ope

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Turab Lookman Stephan Eidenbenz Frank Alexander Cris Barnes Editors

Materials Discovery and Design By Means of Data Science and Optimal Learning

Springer Series in Materials Science Volume 280

Series editors Robert Hull, Troy, USA Chennupati Jagadish, Canberra, Australia Yoshiyuki Kawazoe, Sendai, Japan Richard M. Osgood, New York, USA Jürgen Parisi, Oldenburg, Germany Udo W. Pohl, Berlin, Germany Tae-Yeon Seong, Seoul, Republic of Korea (South Korea) Shin-ichi Uchida, Tokyo, Japan Zhiming M. Wang, Chengdu, China

The Springer Series in Materials Science covers the complete spectrum of materials physics, including fundamental principles, physical properties, materials theory and design. Recognizing the increasing importance of materials science in future device technologies, the book titles in this series reflect the state-of-the-art in understanding and controlling the structure and properties of all important classes of materials.

More information about this series at http://www.springer.com/series/856

Turab Lookman Stephan Eidenbenz Frank Alexander Cris Barnes •



Editors

Materials Discovery and Design By Means of Data Science and Optimal Learning

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Editors Turab Lookman Theoretical Division Los Alamos National Laboratory Los Alamos, NM, USA Stephan Eidenbenz Los Alamos National Laboratory Los Alamos, NM, USA

Frank Alexander Brookhaven National Laboratory Brookhaven, NY, USA Cris Barnes Los Alamos National Laboratory Los Alamos, NM, USA

ISSN 0933-033X ISSN 2196-2812 (electronic) Springer Series in Materials Science ISBN 978-3-319-99464-2 ISBN 978-3-319-99465-9 (eBook) https://doi.org/10.1007/978-3-319-99465-9 Library of Congress Control Number: 2018952614 © Springer Nature Switzerland AG 2018 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, express or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. This Springer imprint is published by the registered company Springer Nature Switzerland AG The registere