<p><span>Molecular Dynamic Simulation: Fundamentals and Applications </span><span>explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches.</span></p><p><span>The implementation of MD simulation and its application to various aspec
ZnO Nano-Structures for Biosensing Applications: Molecular Dynamic Simulations : Molecular Dynamic Simulations
โ Scribed by Safaa Al-Hilli; Magnus Willander
- Publisher
- Nova Science Publishers, Incorporated
- Year
- 2009
- Tongue
- English
- Leaves
- 66
- Series
- Nanotechnology Science and Technology
- Edition
- 1
- Category
- Library
No coin nor oath required. For personal study only.
โฆ Synopsis
ZnO nanostructure is a material that is central for many nanotechnology applications, such as chemical and biological sensors. A systematic molecular dynamics study for the behavior of water droplet and electrolyte solutions interacting with ZnO was concluded. The contact angle of a water droplet on ZnO polar slabs and nanorods/-tubes array changes significantly as a function of the ZnO-water interaction energy and nanostructure geometry. The water contact angle served as a criterion to tune the intermolecular interactions. This new book uses ZnO nanotubes to study the permeation of water for equilibrium and applied voltage cases in order to illustrate the influence of the surface topography and the intermolecular parameters and surface charges on permeation kinetics
โฆ Subjects
Zinc oxide. ; Nanotubes. ; Molecular dynamics. ; Electrolytes -- Conductivity. ; Biosensors.
๐ SIMILAR VOLUMES
Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and t
Introduction to computer simulations of molecules and condensed matter -- Quantum chemistry methods and density-functional theory -- Pseudopotentials, full potential, and basis sets -- Many-body Green function theory and the GTV approximation -- Molecular dynamics -- Extension of molecular dynamic
"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure"This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics"A very useful introduction . . . more i
Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of method