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Computational and Theoretical Polymer Science
Comput Theor Polymer Sci

Published/Hosted by Elsevier. ISSN: 1089-3156.

The primary aim of the journal of Computational and Theoretical Polymer Science is the publication of high-quality manuscripts dealing with analytical theory, computational methods, and simulations of polymeric systems. Manuscripts describing the combined use of experimental with theoretical or computational techniques are also welcome. Manuscripts may include reviews, full-text accounts of original research, and short notes. Biopolymers, synthetic organic polymers, and synthetic inorganic polymers are all within its scope, as are simulations and applications of analytical theory. Its coverage is multidisciplinary, involving chemists, physicists, biologists, chemical engineers, and materials scientists among others, with impact in academia, industry, and government laboratories. Representative areas include the following: molecular mechanics and quantum mechanical calculations of intramolecular and intermolecular energies, potential energy functions, torsional energies, and H-bonding, minimization methods and the multiple-minimum problem, medium effects, chain-packing in the crystalline and liquid-crystalline states, docking calculations polymerization reactions, polymer degradation, chemical and stereochemical structure, rotational isomeric state theory, lattice calculations, solution theories, theories of the solid state, both amorphous (glassy and non-glassy) and crystalline, excluded volume theory distribution functions, fluctuations, correlation functions electronic structure, including band-gap calculations for conducting polymers, polymer electrostatics, non-linear optical properties molecular dynamics of polymer chains in bulk, confined, or at surfaces, chains undergoing deformations, and chains impeding the flow of small molecules diffusing through them, flow and transport in general, Brownian dynamics, local chain motions polymers undergoing phase transitions, including liquid-crystalline phases, spinodal decomposition, equations-of-stateWWW address of Editor-in-Chief:http://jemcom.crs.uc.edu/saheb.html Related Conference Elsevier Science is the official publisher of ESIS - the European Structural Integrity Society - and publishes the proceedings of its Technical Committee meetings. In collaboration with Elsevier Science, TC4 runs a conference series on Polymers and Composites which provides researchers and practicing engineers with an opportunity to present and discuss their most recent findings.

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