LEADER 04713nam 22006615 450 001 9910155533303321 005 20251116170458.0 010 $a981-10-2502-9 024 7 $a10.1007/978-981-10-2502-0 035 $a(CKB)3710000000975074 035 $a(DE-He213)978-981-10-2502-0 035 $a(MiAaPQ)EBC4771449 035 $a(PPN)19745397X 035 $a(EXLCZ)993710000000975074 100 $a20161217d2017 u| 0 101 0 $aeng 135 $aurnn#008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aVariational Methods in Molecular Modeling /$fedited by Jianzhong Wu 205 $a1st ed. 2017. 210 1$aSingapore :$cSpringer Singapore :$cImprint: Springer,$d2017. 215 $a1 online resource 225 1 $aMolecular Modeling and Simulation, Applications and Perspectives,$x2364-5083 311 08$a981-10-2500-2 320 $aIncludes bibliographical references. 327 $aVariational 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. 330 $aThis book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations. 410 0$aMolecular Modeling and Simulation, Applications and Perspectives,$x2364-5083 606 $aMechanics 606 $aMechanics, Applied 606 $aCheminformatics 606 $aStatistics 606 $aComputer simulation 606 $aBiomathematics 606 $aSolid Mechanics$3https://scigraph.springernature.com/ontologies/product-market-codes/T15010 606 $aComputer Applications in Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C13009 606 $aStatistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences$3https://scigraph.springernature.com/ontologies/product-market-codes/S17020 606 $aSimulation and Modeling$3https://scigraph.springernature.com/ontologies/product-market-codes/I19000 606 $aMathematical and Computational Biology$3https://scigraph.springernature.com/ontologies/product-market-codes/M31000 615 0$aMechanics. 615 0$aMechanics, Applied. 615 0$aCheminformatics. 615 0$aStatistics. 615 0$aComputer simulation. 615 0$aBiomathematics. 615 14$aSolid Mechanics. 615 24$aComputer Applications in Chemistry. 615 24$aStatistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences. 615 24$aSimulation and Modeling. 615 24$aMathematical and Computational Biology. 676 $a620.1 702 $aWu$b Jianzhong$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a9910155533303321 996 $aVariational Methods in Molecular Modeling$92184094 997 $aUNINA