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

  • Book
  • © 2011

Overview

Authors:
  1. Hyungjun Kim

    1. Korea Advanced Institute of Science and, Daejeon, Korea, Republic of (South Korea)

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  • Nominated as an outstanding contribution by the California Institute of Technology
  • New research in an emerging field
  • 40 color figures to enhance readability
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (8 chapters)

  1. Front Matter

    Pages i-xxviii
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  2. Introduction

    • Hyungjun Kim
    Pages 1-7

  3. Negative Differential Resistance of Oligo (Phenylene Ethynylene) Self-Assembled Monolayer Systems: The Electric Field Induced Conformational Change Mechanism

    • Hyungjun Kim
    Pages 9-26

  4. Free Energy Barrier for Molecular Motions in Bistable [2]Rotaxane Molecular Electronic Devices

    • Hyungjun Kim
    Pages 27-45

  5. Sodium Diffusion Through Aluminum-Doped Zeolite BEA System: Effect of Water Solvation

    • Hyungjun Kim
    Pages 47-63

  6. Experimental and Theoretical Investigation into the Correlation Between Mass and Ion Mobility for Choline and Other Ammonium Cations in N2

    • Hyungjun Kim
    Pages 65-83

  7. Structural Characterization of Unsaturated Phospholipids Using Traveling Wave Ion Mobility Spectrometry

    • Hyungjun Kim
    Pages 85-105

  8. Interfacial Reactions of Ozone with Lipids and Proteins in a Model Lung Surfactant System

    • Hyungjun Kim
    Pages 107-123

  9. Appendices

    • Hyungjun Kim
    Pages 125-167

  10. Back Matter

    Pages 169-170
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Keywords

About this book

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.

Authors and Affiliations

  • Korea Advanced Institute of Science and, Daejeon, Korea, Republic of (South Korea)

    Hyungjun Kim

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