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Foundations of Molecular Modeling and Simulation : Select Papers from FOMMS 2018 / edited by Edward J. Maginn, Jeffrey Errington.

Springer Nature - Springer Chemistry and Material Science (R0) eBooks 2021 English International Available online

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Format:
Book
Contributor:
Errington, Jeffrey R. (Jeffrey Richard), 1973- editor.
Maginn, Edward J., editor.
Series:
Molecular Modeling and Simulation, Applications and Perspectives, 2364-5091
Language:
English
Subjects (All):
Molecular dynamics.
Molecules--Models.
Molecules.
Chemical engineering.
Statistical mechanics.
Molecular Dynamics.
Molecular Modelling.
Chemical Engineering.
Statistical Mechanics.
Local Subjects:
Molecular Dynamics.
Molecular Modelling.
Chemical Engineering.
Statistical Mechanics.
Physical Description:
1 online resource (x, 220 pages) : illustrations.
Edition:
1st ed. 2021.
Place of Publication:
Singapore : Springer Nature Singapore : Imprint: Springer, 2021.
Summary:
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.
Contents:
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.
Notes:
Includes bibliographical references.
ISBN:
981-336-639-7
OCLC:
1243514262

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