The engineering of highly organized systems from instructed molecular building blocks
opens up new vistas for the control of matter and the exploration of nanodevice concepts …

The presence of dipolar layers determines the functionality of most technologically relevant
interfaces. The present contribution reviews how periodic dipole assemblies modify the …

During the last decade, interest on the growth and self-assembly of organic molecular
species on solid surfaces spread over the scientific community, largely motivated by the …

Recent efforts to understand the interaction of large aromatic molecules with metal surfaces
are discussed. We focus exclusively on work involving the model molecule 3, 4, 9, 10 …

We summarize the molgw code that implements density-functional theory and many-body
perturbation theory in a Gaussian basis set. The code is dedicated to the calculation of the …

Van der Waals (vdW) interactions play a prominent role in the structure and function of
organic/organic and organic/inorganic interfaces. Their accurate determination from first …

Self‐assembly, the process by which objects initially distributed at random arrange into well‐
defined patterns exclusively due to their local mutual interactions without external …

Organic–organic heterojunctions (OOHs) are critical features in organic light‐emitting
diodes, ambipolar organic field‐effect transistors and organic solar cells, which are …

The adsorption of adenine on graphite is analyzed from first-principles calculations as a
model case for the interaction between organic molecules and chemically inert surfaces …

The electronic structure at the interfaces of 3, 4, 9, 10-perylene tetracarboxylic dianhydride
(PTCDA) and the metal surfaces Au (111), Ag (111) and Cu (111) was investigated using …