Description

Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.

Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments

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£179.00

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Hardback by Dennis R. Salahub , Dongqing Wei

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Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano-... Read more

    Publisher: Royal Society of Chemistry
    Publication Date: 01/10/2021
    ISBN13: 9781839161780, 978-1839161780
    ISBN10: 1839161787

    Number of Pages: 388

    Non Fiction , Mathematics & Science , Education

    Description

    Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.

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