Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems

• Main Author: Kim, Hyungjun (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: New York, NY : Springer New York : Imprint: Springer, 2011.
• Series: Springer Theses, Recognizing Outstanding Ph.D. Research,
• Subjects: Chemistry.; Chemistry, Physical and theoretical.; Nanochemistry.; Biochemistry.; Theoretical and Computational Chemistry.; Biochemistry, general.

This volume develops multiscale and multiphysics simulation methods to understand nano- and bio-systems by overcoming the limitations of time- and length-scales. Here the key issue is to extend current computational simulation methods to be useful for providing microscopic understanding of complex e...

Table of Contents:

• 1 Introduction
• 2 Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled
• Monolayer Systems: The Electric Field Induced Conformational Change Mechanism
• 3 Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular
• Electronic Devices
• 4 Sodium Diffusion through Aluminum-Doped Zeolite BEA System: Effect of Water
• Solvation
• 5 Experimental and Theoretical Investigation into the Correlation between Mass
• and Ion Mobility for Choline and Other Ammonium Cations in N2
• 6 Structural Characterization of Unsaturated Phospholipids Using Traveling Wave.-Ion Mobility Spectrometry
• 7 Interfacial Reactions of Ozone with Lipids and Proteins in a Model Lung Surfactant.-System
• 8 Appendix.