Atomistic Modeling of Physical Properties
Coll. Advances in Polymer Science, Vol. 116

With contributions by: R.H. Boyd; B.G. Sumpter, D.W. Noid, G.L. Liang, B. Wunderlich; M.D. Ediger, D.B. Adolf; R.-J. Roe; I. Bahar, B. Erman, L. Monnerie; A.A. Gusev, F. Müller-Plathe, W.F. van Gunsteren, U.W. Suter; L.R. Dodd, D.N. Theodorou; E. Leontidis, J.J. de Pablo, M. Laso, U.W. Suter; K.S. Schweizer.

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.

Atomistic dynamics of macromolecular crystals. Brownian dynamics simulations of local polymer dynamics. 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.