UID:
almahu_9948197473202882
Umfang:
1 online resource (xiv, 275 pages, 8 unnumbered pages of plates) :
,
illustrations (some color)
ISBN:
9780470191668
,
047019166X
,
9780470191675
,
0470191678
,
128120384X
,
9781281203847
,
9781615831739
,
1615831738
Inhalt:
Explores the impact of using an arsenal of molecular modelling tools for various simulations in industrial settings. This book provides an overview of the methods for providing atomistic simulation of a range of materials using our understanding of molecular scale, nanoscale, mesoscale, and macroscale phenomena.
Anmerkung:
Overview of multiscale simulation methods for materials / Sanat Mohanty and Richard B. Ross -- Influence of water and fatty acid molecules on quantum photoinduced electron tunneling in self-assembled photosynthetic centers of minimal protocells / A. Tamulis [and others] -- Optimizing the electronic properties of carbon nanotubes using amphoteric doping / Bobby G. Sumpter and Vincent Meunier -- Using order and nanoconfinement to tailor semiconducting polymers: a combined experimental and multiscale computational study / Michael L. Drummond [and others] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen [and others] -- Microscopic insights into the dynamics of protein-solvent mixtures / Taner E. Dirama and Gustavo A. Carri -- Mesoscale simulations of surface-modified nanospheres in solvents / Sanat Mohanty -- Fixing interatomic potentials using multiscale modeling: ad hoc schemes for coupling atomic and continuum simulations / Clifford W. Padgett [and others] -- Fully analytic implementation of density functional theory for efficient calculations on large molecules / Rajendra R. Zope and Brett I. Dunlap -- Aluminum nanoparticles: accurate potential energy functions and physical properties / Nathan E. Schultz [and others] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty [and others] -- New QM/MM models for multiscale simulation of phosphoryl transfer reactions in solution / Kwangho Nam, Jiali Gao and Darrin M. York -- Modeling the thermal decomposition of large molecules and nanostructures / Marc R. Nyden, Stanislav I. Stoliarov and Vadim D. Knyazev -- Predicting dynamic mesoscale structure of commercially relevant surfactant solutions / Fiona Case.
Weitere Ausg.:
Print version: Multiscale simulation methods for nanomaterials. Hoboken, N.J. : Wiley-Interscience, ©2008
Sprache:
Englisch
Fachgebiete:
Physik
Schlagwort(e):
Electronic books.
;
Electronic books.
DOI:
10.1002/9780470191675
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470191675
Bookmarklink
