Density Functional Theory (DFT) is a versatile and powerful quantum mechanical modeling technique.
Fourteen steps to DFT Nirvana
April 16, 2012 By Leave a Comment
Link to the original paper on Wiley Online Library
Graphene’s brothers and sisters
February 3, 2011 By Leave a Comment
A set of twelve graphene-like materials is simulated regarding their stability, structural, and electronic properties.
Link to the original paper on Wiley Online Library
