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E-book
Author International Conference on Foundations of Molecular Modeling and Simulation (7th : 2018 : Delevan, Wis.)

Title Foundations of molecular modeling and simulation : select papers from FOMMS 2018 / edited by Edward J. Maginn, Jeffrey Errington
Published Singapore : Springer, [2021]

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Description 1 online resource (x, 220 pages) : illustrations (some color)
Series Molecular modeling and simulation: applications and perspectives, 2364-5083
Molecular modeling and simulation, 2364-5083
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 -- Coarse-Grained Force Fields Built on Atomistic Force Fields -- How Molecular Modelling Tools Can Help in Mitigaint Climate Change
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
Notes " ... presented at the 2018 FOMMS conference, which was held July 15-20, 2018, at the Lake Lawn Resort in Delavan, Wisconsin (USA)"--Preface
Bibliography Includes bibliographical references
Notes Online resource; title from PDF title page (SpringerLink, viewed April 20, 2021)
Subject Molecular structure -- Computer simulation -- Congresses
Molecules -- Models -- Computer simulation -- Congresses
Quantum chemistry -- Data processing -- Congresses
Molecular structure -- Computer simulation
Molecules -- Models -- Computer simulation
Quantum chemistry -- Data processing
Genre/Form proceedings (reports)
Conference papers and proceedings
Conference papers and proceedings.
Actes de congrès.
Form Electronic book
Author Maginn, Edward J., editor
Errington, Jeffrey R. (Jeffrey Richard), 1973- editor.
ISBN 9789813366398
9813366397
9789813366404
9813366400
9789813366411
9813366419
Other Titles FOMMS 2018