Multiscale Dynamics Simulations

Multiscale Dynamics Simulations

Författare: Dennis R. Salahub, Dongqing Wei
Förlag: RSC
Upplaga: 1
Utgivningsår: 2021
ISBN: 1839164662

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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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