Multiscale modeling [electronic resource] : from atoms to devices / editors, Pedro Derosa and Tahir Cagin.

"A CRC title."

Includes bibliographical references and index.

ch. 1. Overcoming large time- and length-scale challenges in molecular modeling : a review of atomistic to mesoscale coarse-graining methods / Timothy Morrow -- ch. 2. Coarse-graining parameterization and multiscale simulation of hierarchical systems : part 1 : theory and model formulation / Steve Cranford and Markus J. Buehler -- ch. 3. Coarse-graining parameterization and multiscale simulation of hierarchical systems : part 2 : case studies / Steve Cranford and Markus J. Buehler -- ch. 4. Coarse molecular-dynamics analysis of structural transitions in solid materials / Dimitrios Maroudas, Miguel A. Amat and Ioannis G. Kevrekidis -- ch. 5. Multiscale modeling approach for studying MDH-catalyzed methanal oxidation / Nirmal Kumar Reddy Dandala, A.P.J. Jansen and Daniela Silvia Mainardi -- ch. 6. First-principles alloy thermodynamics / Axel van de Walle -- ch. 7. Nonlinear finite element model for the determination of elastic and thermal properties of nanocomposites / Paul Elsbernd and Pol Spanos -- ch. 8. Ensemble Monte Carlo device modeling : high-field transport in nitrides / Cem Sevik -- ch. 9. Modeling two-dimensional charge devices / Afif Siddiki.

Also available in print edition.

Mode of access: World Wide Web.