This tutorial review by members of The Polymers and Soft Matter Research Group (in the Material Physics Centre – Joint Centre of the University of the Basque Country and the Spanish Scientific Research Council) focuses on the combined use of molecular simulations and neutron scattering as a powerful tool to investigate structure and dynamics in polymers. The tutorial review describes several examples of how this strategy has been the right one to investigate the structural and dynamic features of linear homopolymer melts. The authors suggest that this approach will be important in addressing problems in more complex polymer systems such as biomacromolecules.
Neutron scattering and molecular dynamics simulations: synergetic tools to unravel structure and dynamics in polymers
Soft Matter, 2012, 8, 8257. DOI: 10.1039/c2sm26061a (free to read for a short time)