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Multiscale simulation methods for na...

Ross, Richard B., (1958-)

Multiscale simulation methods for nanomaterials /

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Multiscale simulation methods for nanomaterials // edited by Richard B. Ross, Sanat Mohanty.
other author:	Ross, Richard B.,
Published:	Hoboken, N.J. ,Wiley-Interscience, : c2008.:,
Description:	xiv, 275 p., [8] p. of plates :ill. (some col.) ; : 25 cm.;
Subject:	Molecular electronics - Simulation methods. -
Online resource:	http://www.loc.gov/catdir/toc/ecip0719/2007023227.html
Online resource:	http://www.loc.gov/catdir/enhancements/fy0739/2007023227-d.html
Online resource:	http://www.loc.gov/catdir/enhancements/fy0806/2007023227-b.html
ISBN:	9780470105283 (cloth) :

Multiscale simulation methods for nanomaterials /
Multiscale simulation methods for nanomaterials /edited by Richard B. Ross, Sanat Mohanty. - Hoboken, N.J. ,Wiley-Interscience,c2008.: - xiv, 275 p., [8] p. of plates :ill. (some col.) ;25 cm.

Includes bibliographical references and index.

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 ... [et al.] -- 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 ... [et al.] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen ... [et al.] -- 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 ... [et al.] -- 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 ... [et al.] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty ... [et al.] -- 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.

ISBN: 9780470105283 (cloth) :NT4618

LCCN: 2007023227Subjects--Topical Terms:

721125
Molecular electronics
--Simulation methods.

LC Class. No.: TK7874.8 / .M85 2008

Dewey Class. No.: 620.1/1

Multiscale simulation methods for nanomaterials /
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010 $a 2007023227
020 $a 9780470105283 (cloth) : $c NT4618
020 $a 0470105283 (cloth)
035 $a (OCoLC)ocn140108251
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082 0 0 $a 620.1/1 $2 22
245 0 0 $a Multiscale simulation methods for nanomaterials / $c edited by Richard B. Ross, Sanat Mohanty.
260 # $a Hoboken, N.J. , $c c2008.: $b Wiley-Interscience,
300 $a xiv, 275 p., [8] p. of plates : $b ill. (some col.) ; $c 25 cm.
504 $a Includes bibliographical references and index.
505 0 # $a 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 ... [et al.] -- 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 ... [et al.] -- Coarse grained-to-atomistic mapping algorithm: a tool for multiscale simulations / Steven O. Nielsen ... [et al.] -- 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 ... [et al.] -- 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 ... [et al.] -- Large-scale Monte Carlo simulations for aggregation, self-assembly, and phase equilibria / Jake L. Rafferty ... [et al.] -- 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.
650 # 0 $a Molecular electronics $x Simulation methods. $3 721125
650 # 0 $a Nanotechnology. $3 557660
700 1 # $a Ross, Richard B., $d 1958- $3 721126
700 1 # $a Mohanty, Sanat S. $3 721127
856 4 1 $3 Table of contents only $u http://www.loc.gov/catdir/toc/ecip0719/2007023227.html
856 4 2 $3 Publisher description $u http://www.loc.gov/catdir/enhancements/fy0739/2007023227-d.html
856 4 2 $3 Contributor biographical information $u http://www.loc.gov/catdir/enhancements/fy0806/2007023227-b.html