Multiscale Dynamics Simulations

Nano and Nano-bio Systems in Complex Environments

By: Dennis R. Salahub (Editor), Dongqing Wei (Editor)

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eBook | 24 September 2021

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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.