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Royal Society of Chemistry Multiscale Dynamics Simulations: Nano and Nano-bio Systems

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Description

Multiscale Dynamics Simulations Volume 22 from the Royal Society of Chemistry provides a comprehensive guide to advanced methodologies for modelling complex nano- and nano-bio systems in realistic environments. This essential resource covers cutting-edge techniques including DFT/MM-MD, DFTB, semi-empirical QM/MM-MD, DFT/MMPOL and machine-learning approaches, equipping researchers and newcomers with practical multiscale modelling options. The book focuses on recent methodological breakthroughs that enable scientists to accurately simulate increasingly complex systems at multiple scales. Whether you're working on nanomaterials, biomolecular systems or hybrid nano-bio interfaces, this volume from the Theoretical and Computational Chemistry Series offers the theoretical foundations and practical frameworks needed to advance your research and navigate the evolving landscape of computational nanoscience and biochemistry.

Key Features

Covers DFT/MM-MD, DFTB, QM/MM-MD and DFT/MMPOL methodologies for multiscale simulations of complex nano and nano-bio systems.

Includes machine-learning approaches integrated with traditional multiscale modelling techniques for enhanced computational efficiency.

Part of the Theoretical and Computational Chemistry Series Volume 22, providing authoritative content from the Royal Society of Chemistry.

Designed for newcomers and experienced researchers seeking comprehensive guidance on multiscale dynamics simulation methods.

Addresses simulation of nano-bio systems embedded in complex environments with practical examples of recent methodological breakthroughs.

Product Specifications

Format
hardcover
Domain
Amazon UK
Release Date
01 October 2021
Listed Since
16 February 2021

Barcode

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