Multiscale Dynamics Simulations: Nano and Nano-Bio Systems in Complex Environments

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.

• Format: Hardcover
• Language: English
• ISBN: 1839161787
• ISBN13: 9781839161780
• Release Date: October 2021
• Publisher: Royal Society of Chemistry
• Length: 388 Pages
• Weight: 1.70 lbs.
• Dimensions: 1.1" x 6.2" x 9.3"