Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems [recurso electrónico] / by Hyungjun Kim.
Tipo de material:
TextoSeries Springer Theses, Recognizing Outstanding Ph.D. ResearchEditor: New York, NY : Springer New York : Imprint: Springer, 2011Descripción: XXVIII, 170 p. online resourceTipo de contenido: text Tipo de medio: computer Tipo de portador: online resourceISBN: 9781441976017Tema(s): Chemistry | Nanochemistry | Biochemistry | Chemistry | Theoretical and Computational Chemistry | Nanochemistry | Biochemistry, generalFormatos físicos adicionales: Printed edition:: Sin títuloClasificación CDD: 541.2 Clasificación LoC:QD450-801Recursos en línea: Libro electrónico
| Tipo de ítem | Biblioteca actual | Colección | Signatura | Copia número | Estado | Fecha de vencimiento | Código de barras |
|---|---|---|---|---|---|---|---|
| Libro Electrónico | Biblioteca Electrónica | Colección de Libros Electrónicos | QD450 -801 (Browse shelf(Abre debajo)) | 1 | No para préstamo | 371974-2001 |
Navegando Biblioteca Electrónica Estantes, Código de colección: Colección de Libros Electrónicos Cerrar el navegador de estanterías (Oculta el navegador de estanterías)
| QD450 -801 Recent Advances in QSAR Studies | QD450 -801 Trends in Computational Nanomechanics | QD450 -801 Relativistic Methods for Chemists | QD450 -801 Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems | QD450 -801 Topics in Theoretical and Computational Nanoscience | QD450 -801 Orbitals in Chemistry | QD450 -801 Computational Methods in Chemical Engineering with Maple |
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.
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 volume discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite based fuel cell systems, dynamics of biomolecular ions, 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.
19
