Journal
MOLECULAR SIMULATION
Volume 28, Issue 5, Pages 385-471Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927020290018769
Keywords
DL_POLY; molecular dynamics; partial radial distribution function; nuclear magnetic resonance; crystal structure; diffusion; catalysis; spectroscopy; interfaces; liquids; solutions; polymers; membranes; proteins
Ask authors/readers for more resources
DL-POLY is a general-purpose molecular dynamics simulation package, which was developed by Daresbury Laboratory in the mid-1990s for the molecular simulation community in the United Kingdom. The package now has a world-wide user base and applications in many areas of molecular Simulation. In this article we briefly review the history and design of the package and highlight some recent applications in the areas of, liquids and solutions; spectroscopy; ionic solids; molecular crystals; polymers; glasses; membranes; proteins; solid and liquid interfaces; catalysis; liquid crystals; intercalation and clathrates; and novel systems. The strengths and weaknesses of the code and its future in the near term are also discussed.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available