Multiscale Dynamics Simulations
| Author | : Dennis R. Salahub |
| Publisher | : Royal Society of Chemistry |
| Total Pages | : 411 |
| Release | : 2021-09-24 |
| ISBN-10 | : 9781839164675 |
| ISBN-13 | : 1839164670 |
| Rating | : 4/5 (670 Downloads) |
Download or read book Multiscale Dynamics Simulations written by Dennis R. Salahub and published by Royal Society of Chemistry. This book was released on 2021-09-24 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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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