Download or read book Computational Investigation of Bio/inorganic Interfaces written by Liuyang Zhang and published by . This book was released on 2016 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the field of nanotechnology, the bio/inorganic interface is of great importance when determining the physical properties of nanostructures and nanocomposites. Nanomaterials are very likely to contact with biological organisms and associated organic molecules, such as when used for drug delivery and imaging, which establishes a series of interfaces between the nanomaterials and biological systems. Until now, these factors are still difficult to be characterized from experimental work directly. To rectify this, multiscale computational modeling is adopted in this dissertation to properly determine the interfacial properties of the bio/inorganic interface under a variety of conditions. The interfacial properties between the inorganic material and polymer, biological macromolecules and cell will be systematically investigated by the computational modeling and simulation technique. Our findings will open a new avenue for computational material design and biocompatible device fabrication.