Multiscale Dynamics Simulations PDF Download

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Multiscale Dynamics Simulations

Multiscale Dynamics Simulations PDF Author: Dennis R. Salahub
Publisher: Royal Society of Chemistry
ISBN: 1839164670
Category : Science
Languages : en
Pages : 411

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Book 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.