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Challenges and Advances in Computational Chemistry and Physics

Computational Approaches for Chemistry Under Extreme Conditions

Editors: Goldman, Nir (Ed.)

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  • 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
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イーブック ¥14,600
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-3-030-05600-1
  • ウォーターマーク付、 DRMフリー
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ハードカバー ¥18,251
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-3-030-05599-8
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
この書籍について

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.

著者について

Dr. Nir Goldman is a scientist based in the Materials Science Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, USA. His current research interests involve the development of novel approaches to quantum and classical molecular dynamics simulations of chemical reactivity within condensed matter. This includes corrosion processes, soft matter degradation phenomena, the modeling of laser-driven dynamic compression experiments, and astrobiological synthesis of life-building compounds under extreme thermodynamic conditions.

Table of contents (10 chapters)

Table of contents (10 chapters)
  • Simulations of Hydrocarbon Polymers Related to Compression Experiments on Sandia’s Z Machine

    Pages 1-23

    Mattsson, Thomas R. (et al.)

  • Computational Discovery of New High-Nitrogen Energetic Materials

    Pages 25-52

    Steele, Brad A. (et al.)

  • Accelerated Molecular Dynamics Simulations of Shock-Induced Chemistry: Application to Liquid Benzene

    Pages 53-70

    Martínez, E. (et al.)

  • Force Matching Approaches to Extend Density Functional Theory to Large Time and Length Scales

    Pages 71-93

    Lindsey, Rebecca K. (et al.)

  • Free Energy Calculations of Electric Field-Induced Chemistry

    Pages 95-126

    Cassone, Giuseppe (et al.)

書籍の購入

イーブック ¥14,600
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-3-030-05600-1
  • ウォーターマーク付、 DRMフリー
  • ファイル形式: EPUB, PDF
  • どの電子書籍リーダーからでもすぐにお読みいただけます。
  • ご購入後、すぐにダウンロードしていただけます。
ハードカバー ¥18,251
価格の適用国: Japan (日本円価格は個人のお客様のみ有効) (小計)
  • ISBN 978-3-030-05599-8
  • 個人のお客様には、世界中どこでも配送料無料でお届けします。
  • Usually dispatched within 3 to 5 business days.
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書誌情報

Bibliographic Information
Book Title
Computational Approaches for Chemistry Under Extreme Conditions
Editors
  • Nir Goldman
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
28
Copyright
2019
Publisher
Springer International Publishing
Copyright Holder
Springer Nature Switzerland AG
イーブック ISBN
978-3-030-05600-1
DOI
10.1007/978-3-030-05600-1
ハードカバー ISBN
978-3-030-05599-8
Series ISSN
2542-4491
Edition Number
1
Number of Pages
VIII, 293
Number of Illustrations
17 b/w illustrations, 95 illustrations in colour
Topics