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

By (author) Kim, Hyungjun

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 experimental systems. 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 traditional monoscale approaches.

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[目次]

  • 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.

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この本の情報

書名 Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-systems
著作者等 Kim, Hyungjun
シリーズ名 Springer Theses
出版元 Springer-Verlag New York Inc.
刊行年月 2012.12.27
ページ数 200p
大きさ H235 x W155
ISBN 9781461427520
言語 英語
出版国 アメリカ合衆国
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