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Foundations of molecular modeling an...

Maginn, Edward J.

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Foundations of molecular modeling and simulation = select papers from FOMMS 2018 /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Foundations of molecular modeling and simulation/ edited by Edward J. Maginn, Jeffrey Errington.
Reminder of title:	select papers from FOMMS 2018 /
remainder title:	FOMMS 2018
other author:	Maginn, Edward J.
Published:	Singapore :Springer Singapore : : 2021.,
Description:	x, 220 p. :ill., digital ;24 cm.
[NT 15003449]:	Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics.
Contained By:	Springer Nature eBook
Subject:	Molecular structure - Congresses. - Computer simulation -
Online resource:	https://doi.org/10.1007/978-981-33-6639-8
ISBN:	9789813366398

Foundations of molecular modeling and simulation = select papers from FOMMS 2018 /
Foundations of molecular modeling and simulationselect papers from FOMMS 2018 /[electronic resource] :FOMMS 2018edited by Edward J. Maginn, Jeffrey Errington. - Singapore :Springer Singapore :2021. - x, 220 p. :ill., digital ;24 cm. - Molecular modeling and simulation, applications and perspectives,2364-5083. - Molecular modeling and simulation, applications and perspectives..

Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics.

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018) The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.

ISBN: 9789813366398

Standard No.: 10.1007/978-981-33-6639-8doiSubjects--Topical Terms:

3492260
Molecular structure
--Computer simulation--Congresses.

LC Class. No.: QD462.A1

Dewey Class. No.: 541.28

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490 1 $a Molecular modeling and simulation, applications and perspectives, $x 2364-5083
505 0 $a Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy -- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks -- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions -- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution -- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited -- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics.
520 $a This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018) The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.
650 0 $a Molecular structure $x Computer simulation $v Congresses. $3 3492260
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650 2 4 $a Industrial Chemistry/Chemical Engineering. $3 890826
700 1 $a Maginn, Edward J. $3 3492258
700 1 $a Errington, Jeffrey. $3 3492259
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