Molecular simulations of polymer crystallization

Computer modeling is acquiring ever increasing significance in the science and technology of polymers. In this article, we review recent advances in computer simulation of polymer crystallization. We here deal with several topics of great relevance, the basic elementary process of polymer crystallization, the characteristic crystallization behavior of polymers having specific molecular structures, the very fast crystallization during deformation and flow, and the crystallization in confined spaces and interfaces with other materials. We here emphasize the great potential of the computer modeling, and the challenges for the future. © 2014 The Society of Polymer Science, Japan.