Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Physics, Mathematical Physics
Cover of the book Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol, Springer International Publishing
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol ISBN: 9783319560878
Publisher: Springer International Publishing Publication: May 16, 2017
Imprint: Springer Language: English
Author: Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
ISBN: 9783319560878
Publisher: Springer International Publishing
Publication: May 16, 2017
Imprint: Springer
Language: English

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).

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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).

More books from Springer International Publishing

Cover of the book Protein-based Engineered Nanostructures by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Reconstruction, Identification and Implementation Methods for Spiking Neural Circuits by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Exploring the Nexus of Geoecology, Geography, Geoarcheology and Geotourism: Advances and Applications for Sustainable Development in Environmental Sciences and Agroforestry Research by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Resistance and Change in World Politics by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Political Representation in France and Germany by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Energy Optimization and Prediction in Office Buildings by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Cardiovascular Hemodynamics by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Tropical Seaweed Farming Trends, Problems and Opportunities by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book SmartParticipation by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Family Businesses in the Arab World by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Cliometrics of the Family by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Emerging Technologies for Economic Development by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Advances in Materials, Mechanical and Industrial Engineering by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Manipulation and Characterization of Electrosprayed Ions Under Ambient Conditions by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
Cover of the book Business Resilience System (BRS): Driven Through Boolean, Fuzzy Logics and Cloud Computation by Andrey V. Solov’yov, Ilia A. Solov’yov, Andrey V. Korol
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy