Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer

• Main Authors: Solov’yov, Ilia A. (Author), Korol, Andrey V. (Author), Solov’yov, Andrey V. (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Cham : Springer International Publishing : Imprint: Springer, 2017.
• Subjects: Physics.; Chemistry, Physical and theoretical.; Computer simulation.; Atoms.; Magnetism.; Magnetic materials.; Numerical and Computational Physics, Simulation.; Theoretical and Computational Chemistry.; Atomic, Molecular, Optical and Plasma Physics.; Biological and Medical Physics, Biophysics.; Simulation and Modeling.; Magnetism, Magnetic Materials.

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 in...

Table of Contents:

• Introduction to computer simulations in modern science
• Theoretical approaches for multiscale computer simulations
• Atomic clusters and nanoparticles
• Biomolecular systems
• Nanostructured materials
• Composite materials and hybrid molecular systems
• Crystals, liquids, gases
• Thermo-mechanical properties of materials and related phenomena
• Dynamical molecular processes and related phenomena
• Multiscale phenomena
• Emerging Technologies
• Future outlook.