José M. Soler

TL;DR: DelDelin, E. Tosatti, and R. Weht, Phys. Rev. 92, 057201 (2004) as discussed by the authors, provide a reply to Delin's letter.

TL;DR: Cluster diffusion on surfaces by two-dimensional evaporation-condensation is studied taking into account both temporal and spatial correlations between evaporations and condensations, showing that the effect of these correlations increases with time and with the diffusivity of the evaporated adatoms.

TL;DR: In this article, the authors discuss how this situation can lead to a fruitful interplay in organic solid state chemistry, considering selected examples, such as the structure of gold nanoclusters and nanowires, the absorption of atoms and molecules and growth of thin films on silicon surfaces, and the control of the transport properties of hybrid organic-inorganic charge transfer molecular solids.

TL;DR: In this article, the electronic structure and forces on the atoms are calculated in the framework of the augmented plane wave method using new algorithms proposed by Williams and Soler, enabling an ab initio approach to long-standing questions on defects in metals.

TL;DR: First-principles molecular dynamics simulations of the formation of monatomic gold nanowires with different impurities (H, C, O, S) show carbon and oxygen were found in the final chains with low probability, while sulfur almost always participated in it (probabability approximately 90%).