A A A

Van der Waals forces

9 October 2012

Klimes perspect

Klimes and Michaelides' article on the cover of Journal of Chemical Physics and September's most downloaded article.

Jiri Klimes and Angelos Michaelides' perspective article on van der Waals forces has been featured on the cover of Journal of Chemical Physics. Their article provides an overview of the current status of van der Waals forces in density functional theory.  Van der Waals forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, their accurate description is highly challenging, with the most widely used computational chemisty/physics technique (density functional theory), failing to describe them with standard approximations. The "problems" with van der Waals forces in density functional is currently one of the hottest topics in the field with a number of very promising solutions emerging over the last decade or so. Michaelides and Klimes' article discusses, classifies, and evaluates some of the promising schemes to have recently emerged. A brief perspective on the outstanding issues that remain to be resolved and some directions for future research is also provided. To read more see the article

The article has also topped Journal of Chemical Physics' most downloaded list of articles for September 2012.