Leseprobe

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Leseprobe

Multiscale Dynamics Simulations

Name: Multiscale Dynamics Simulations
Author: Dongqing Wei (Hrsg.), Dennis R. Salahub (Hrsg.)

Nano and Nano-bio Systems in Complex Environments

Dongqing Wei (Hrsg.), Dennis R. Salahub (Hrsg.)

EPUB

ca. 239,99 €

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Royal Society of Chemistry

Naturwissenschaften, Medizin, Informatik, Technik / Naturwissenschaften allgemein

Beschreibung

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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