Variational methods in molecular modeling

• Other Authors: Wu, Jianzhong (Editor)
• Format: Electronic eBook
• Language: English
• Published: Singapore : Springer, 2017.
• Series: Molecular modeling and simulation.
• Subjects: Molecules > Models.; Variational principles.; elektronické knihy; electronic books
• ISBN: 9789811025020; 9789811025006
• ISSN: 2364-5083
• Physical Description: 1 online resource

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.