Presentation Information

[21p-A304-5]Van der Waals density functional applied to surfaces and interfaces

〇Ikutaro Hamada1 (1.Osaka Univ.)

Keywords:

First-principles calculation,density functional theory,van der Waals force

The van der Waals density functional (vdW-DF) is one of the methods, which is able to accurately describe a variety of interatomic interactions, including the van der Waals (or dispersion) interaction in a seamless fashion. In this talk, after a brief introduction to the basic of vdW-DF, its applications to systems related to thin films, surfaces and interfaces are introduced.