Computational Approaches for Chemistry Under Extreme Conditions

This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantu

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Nir Goldman Editor

Computational Approaches for Chemistry Under Extreme Conditions

Challenges and Advances in Computational Chemistry and Physics Volume 28

Series editor Jerzy Leszczynski Department of Chemistry and Biochemistry Jackson State University, Jackson, MS, USA

This book series provides reviews on the most recent developments in computational chemistry and physics. It covers both the method developments and their applications. Each volume consists of chapters devoted to the one research area. The series highlights the most notable advances in applications of the computational methods. The volumes include nanotechnology, material sciences, molecular biology, structures and bonding in molecular complexes, and atmospheric chemistry. The authors are recruited from among the most prominent researchers in their research areas. As computational chemistry and physics is one of the most rapidly advancing scientific areas such timely overviews are desired by chemists, physicists, molecular biologists and material scientists. The books are intended for graduate students and researchers. All contributions to edited volumes should undergo standard peer review to ensure high scientific quality, while monographs should be reviewed by at least two experts in the field. Submitted manuscripts will be reviewed and decided by the series editor, Prof. Jerzy Leszczynski.

More information about this series at http://www.springer.com/series/6918

Nir Goldman Editor

Computational Approaches for Chemistry Under Extreme Conditions

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Editor Nir Goldman Materials Science Division Lawrence Livermore National Laboratory Livermore, CA, USA

ISSN 2542-4491 ISSN 2542-4483 (electronic) Challenges and Advances in Computational Chemistry and Physics ISBN 978-3-030-05599-8 ISBN 978-3-030-05600-1 (eBook) https://doi.org/10.1007/978-3-030-05600-1 Library of Congress Control Number: 2018964691 © Springer Nature Switzerland AG 2019 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 remai