04713nam 22006615 450 991015553330332120251116170458.0981-10-2502-910.1007/978-981-10-2502-0(CKB)3710000000975074(DE-He213)978-981-10-2502-0(MiAaPQ)EBC4771449(PPN)19745397X(EXLCZ)99371000000097507420161217d2017 u| 0engurnn#008mamaatxtrdacontentcrdamediacrrdacarrierVariational Methods in Molecular Modeling /edited by Jianzhong Wu1st ed. 2017.Singapore :Springer Singapore :Imprint: Springer,2017.1 online resourceMolecular Modeling and Simulation, Applications and Perspectives,2364-5083981-10-2500-2 Includes bibliographical references.Variational Methods in Statistical Thermodynamics – A Pedagogical Introduction -- Square-Gradient Models for Inhomogeneous Many-body Systems -- Classical Density Functional Theory for Molecular Systems -- Classical Density Functional Theory of Polymeric Fluids and Ionic Liquids -- Variational Perturbation Theory for Electrolyte Solutions -- Self-Consistent-Field Theory of Inhomogeneous Polymeric Systems -- Variational Methods for Biomolecular Modeling -- A Theoretician’s Approach to Nematic Liquid Crystals and Their Applications -- Dynamical Density Functional Theory for Brownian Dynamics of Colloidal Particles -- Introduction to the Variational Monte Carlo Method in Quantum Chemistry and Physics.This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.Molecular Modeling and Simulation, Applications and Perspectives,2364-5083MechanicsMechanics, AppliedCheminformaticsStatisticsComputer simulationBiomathematicsSolid Mechanicshttps://scigraph.springernature.com/ontologies/product-market-codes/T15010Computer Applications in Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C13009Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Scienceshttps://scigraph.springernature.com/ontologies/product-market-codes/S17020Simulation and Modelinghttps://scigraph.springernature.com/ontologies/product-market-codes/I19000Mathematical and Computational Biologyhttps://scigraph.springernature.com/ontologies/product-market-codes/M31000Mechanics.Mechanics, Applied.Cheminformatics.Statistics.Computer simulation.Biomathematics.Solid Mechanics.Computer Applications in Chemistry.Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences.Simulation and Modeling.Mathematical and Computational Biology.620.1Wu Jianzhongedthttp://id.loc.gov/vocabulary/relators/edtBOOK9910155533303321Variational Methods in Molecular Modeling2184094UNINA