Multiscale and multiphysics computational frameworks for nano- and bio-systems

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 experimentalsystems. This thesis discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite systems, dynamics of biomolecules such as lipids, and model lung system. Based on the cases discussed here, the author suggests various systematic strategies to overcome the limitations in time- and length-scales of the traditionalmonoscale approaches. Nominated as an outstanding contribution by the California Institute of Technology New research in an emerging field 40 color figuresto enhance readability INDICE: 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 Diffusionthrough 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 MobilitySpectrometry.- 7 Interfacial Reactions of Ozone with Lipids and Proteins in aModel Lung Surfactant.-System.- 8 Appendix.

• ISBN: 978-1-4419-7600-0
• Editorial: Springer
• Encuadernacion: Cartoné
• Páginas: 200
• Fecha Publicación: 29/12/2010
• Nº Volúmenes: 1
• Idioma: Inglés