Open access peer-reviewed Edited Volume

Molecular Dynamics

Edited by Alexander Vakhrushev

Ural Branch of the Russian Academy of Sciences

This book is devoted to a description of the modeling of nanosystems and a detailed exposition of the application of molecular dynamics methods to problems from various fields of technology: material science, the formation of composite molecular complexes, and transport of nanosystems. The research results of the modeling of various nanosystems are presented: soft supramolecular nanostructures, nanosized beams of single-crystal Cu, metallic nanosized crystals, drug delivery systems, and systems stabilized by hydrogen bonds. The information from this book will be useful for engineers, technologists, researchers, and postgraduate students interested in the study of the whole complex of computer simulation based on the concept of molecular dynamics methods for the task of designing and producing nanomaterials with controlled properties.

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Molecular DynamicsEdited by Alexander Vakhrushev

Published: August 1st 2018

DOI: 10.5772/intechopen.70978

ISBN: 978-1-78923-525-8

Print ISBN: 978-1-78923-524-1

eBook (PDF) ISBN: 978-1-83881-503-5

Copyright year: 2018

Books open for chapter submissions

3316 Total Chapter Downloads

6 Crossref Citations

3 Web of Science Citations

7 Dimensions Citations


Open access peer-reviewed

1. Introductory Chapter: Molecular Dynamics: Basic Tool of Nanotechnology Simulations for “Production 4.0” Revolution

By Alexander V. Vakhrushev


Open access peer-reviewed

2. Modeling Soft Supramolecular Nanostructures by Molecular Simulations

By Tânia F. Cova, Sandra C. Nunes, Bruce F. Milne, Andreia F. Jorge and Alberto C. Pais


Open access peer-reviewed

3. Atomic Mechanisms Governing Strength of Metallic Nanosized Crystals

By Sergiy Kotrechko, Olexandr Ovsijannikov, Igor Mikhailovskij and Nataliya Stetsenko


Open access peer-reviewed

4. Effects of Voids in Tensile Single-Crystal Cu Nanobeams

By Aylin Ahadi, Per Hansson and Solveig Melin


Open access peer-reviewed

5. Molecular Dynamics Simulations to Study Drug Delivery Systems

By Juan M.R. Albano, Eneida de Paula and Monica Pickholz


Edited Volume and chapters are indexed in

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  • CNKI

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