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Multiscale Dynamics Simulations
Nano and Nano-bio Systems in Complex Environments
Dennis R. Salahub, Dongqing Wei, Dennis R. Salahub, Dongqing Wei
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- English
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eBook - ePub
Multiscale Dynamics Simulations
Nano and Nano-bio Systems in Complex Environments
Dennis R. Salahub, Dongqing Wei, Dennis R. Salahub, Dongqing Wei
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About This Book
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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