Atomistic Modeling of Physical Properties

Contents: - Prediction of Polymer Crystal Structures and Properties - Atomistic Dynamics of Macromolecular Crystals - Brownian Dynamics Simulations of Local Polymer Dynamics - MD Simulation Study of Glass Transition and Short Time Dynamics in Polymer Liquids - Effect of Molecular Structure on Local Chain Dynamics: Analytical Approaches and Computational Methods - Dynamics of Small Molecules in Bulk Polymers - Atomistic Monte Carlo Simulation and Continuum Mean Field Theory of the Structure and Equation of State Properties of Alkane and Polymer Melts - A Critical Evaluation of Novel Algorithms for the Off- Lattice Monte Carlo Simulation of Condensed Polymer Phases - Prism Theory of the Structure, Thermodynamcis, and Phase Transitions of Polymer Liquids and Alloys.

Zusammenfassung
"Atomistic Modeling of Physical properties, with its references, will form a valuable addition to the libraries of both the newcomer and the experienced modeler in need of a concise reference to developments in polymer modeling." TRIP - Trends in Polymer Science

Inhalt
Prediction of polymer crystal structures and properties.- Atomistic dynamics of macromolecular crystals.- Brownian dynamics simulations of local polymer dynamics.- MD simulation study of glass transition and short time dynamics in polymer liquids.- Effect of molecular structure on local chain dynamics: Analytical approaches and computational methods.- Dynamics of small molecules in bulk polymers.- Atomistic Monte Carlo simulation and continuum mean field theory of the structure and equation of state properties of alkane and polymer melts.- A critical evaluation of novel algorithms for the off-lattice Monte Carlo simulation of condensed polymer phases.- PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys.