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Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer

Authors: Solovyov, Ilia A., Korol, Andrey, Solov’yov, Andrey

  • Authored by the package developers
  • Contains numerous detailed case-studies
  • Contains extensive software tutorial
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eBook 91,62 €
price for Spain (gross)
  • ISBN 978-3-319-56087-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 114,39 €
price for Spain (gross)
  • ISBN 978-3-319-56085-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
About this book

This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale.

MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer.

Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies.

Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).

Table of contents (11 chapters)

  • Introduction to Computational Meso-Bio-Nano (MBN) Science and MBN Explorer

    Solov’yov, Ilia A. (et al.)

    Pages 1-41

    Preview Buy Chapter 30,19 €
  • Theoretical Approaches for Multiscale Computer Simulations

    Solov’yov, Ilia A. (et al.)

    Pages 43-95

    Preview Buy Chapter 30,19 €
  • Computational Modelling of MBN Systems

    Solov’yov, Ilia A. (et al.)

    Pages 97-119

    Preview Buy Chapter 30,19 €
  • Atomic Clusters and Nanoparticles

    Solov’yov, Ilia A. (et al.)

    Pages 121-170

    Preview Buy Chapter 30,19 €
  • Biomolecular Systems

    Solov’yov, Ilia A. (et al.)

    Pages 171-198

    Preview Buy Chapter 30,19 €

Buy this book

eBook 91,62 €
price for Spain (gross)
  • ISBN 978-3-319-56087-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 114,39 €
price for Spain (gross)
  • ISBN 978-3-319-56085-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer
Authors
Copyright
2017
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing AG
eBook ISBN
978-3-319-56087-8
DOI
10.1007/978-3-319-56087-8
Hardcover ISBN
978-3-319-56085-4
Edition Number
1
Number of Pages
XV, 451
Number of Illustrations and Tables
7 b/w illustrations, 202 illustrations in colour
Topics