Overview
- Compiles state-of-the-art computational approaches in a single source
- Presents novel simulation methods over a broad range of application areas
- Useful tool for experimentalists and theoreticians, accessible for novices and experts
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 28)
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Table of contents (10 chapters)
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Front Matter
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Back Matter
Keywords
About this book
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 quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.
Editors and Affiliations
About the editor
Bibliographic Information
Book Title: Computational Approaches for Chemistry Under Extreme Conditions
Editors: Nir Goldman
Series Title: Challenges and Advances in Computational Chemistry and Physics
DOI: https://doi.org/10.1007/978-3-030-05600-1
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2019
Hardcover ISBN: 978-3-030-05599-8Published: 05 March 2019
eBook ISBN: 978-3-030-05600-1Published: 18 February 2019
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: VIII, 293
Number of Illustrations: 17 b/w illustrations, 95 illustrations in colour
Topics: Theoretical and Computational Chemistry, Physical Chemistry