Variational Methods in Molecular Modeling

• Corporate Author: SpringerLink (Online service)
• Other Authors: Wu, Jianzhong (Editor)
• Format: Electronic eBook
• Language: English
• Published: Singapore : Springer Singapore : Imprint: Springer, 2017.
• Series: Molecular Modeling and Simulation, Applications and Perspectives,
• Subjects: Engineering.; Chemoinformatics.; Computer simulation.; Biomathematics.; Statistics.; Continuum mechanics.; Continuum Mechanics and Mechanics of Materials.; Computer Applications in Chemistry.; Statistics for Engineering, Physics, Computer Science, Chemistry and Earth Sciences.; Simulation and Modeling.; Mathematical and Computational Biology.

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, G...

Table of Contents:

• 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.