Variational Methods in Molecular Modeling
This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-cons
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Jianzhong Wu Editor
Variational Methods in Molecular Modeling
Molecular Modeling and Simulation Applications and Perspectives
Series editor Edward Maginn, University of Notre Dame, Notre Dame, IN, USA
This series aims at providing a comprehensive collection of works on developments in molecular modeling and simulation, particularly as applied to the various research fields of engineering. The Series covers a broad range of topics related to modeling matter at the atomistic level. The series provides timely and detailed treatment of advanced methods and their application in a broad range of interrelated fields such as biomedical and biochemical engineering, chemical engineering, chemistry, molecular biology, mechanical engineering and materials science. The Series accepts both edited and authored works, including textbooks, monographs, reference works, and professional books. The series welcomes manuscripts concerned with developments in and applications of molecular modeling and simulation to contemporary research in myriad technological fields, including, but not limited to: • • • • • • • • • • • • • •
New Materials Development Process Engineering Fuel Engineering Combustion Polymer Engineering Biomechanics Biomaterials Fluid Flow and Modeling Nano and Micro Fluidics Nano and Micro Technology Thin Films Phase Equilibria Transport Properties Computational Biology
More information about this series at http://www.springer.com/series/13829
Jianzhong Wu Editor
Variational Methods in Molecular Modeling
123
Editor Jianzhong Wu Department of Chemical and Environmental Engineering and Department of Mathematics University of California Riverside, CA USA
ISSN 2364-5083 ISSN 2364-5091 (electronic) Molecular Modeling and Simulation ISBN 978-981-10-2500-6 ISBN 978-981-10-2502-0 (eBook) DOI 10.1007/978-981-10-2502-0 Library of Congress Control Number: 2016955927 © Springer Science+Business Media Singapore 2017 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. Printed on acid-free p
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