IBM Research - Zurich

Projector augmented-wave method

An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural wa...

Channel coding with multilevel/phase signals

A coding technique is described which improves error performance of synchronous data links without sacrificing data rate or requiring more bandwidth. This is achieved by channel...

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. I...

Superconductivity in a layered perovskite without copper

The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy

Atomic Imaging Within Adsorbed Molecules Scanning tunneling microscopy provides atomic resolution images of surfaces and adsorbed atoms, but imaging atoms within an organic mole...

Near Field Optics

Self-Assembled Monolayers of Eicosanethiol on Palladium and Their Use in Microcontact Printing

We investigate self-assembled monolayers on polycrystalline Pd composed of eicosanethiol (ECT). X-ray photoelectron spectroscopy reveals a composition and structure of the ECT m...

Surface phonons and dipole activity of Si(111)2×1 from<i>ab</i><i>initio</i>calculations

We present a first-principles linear-response study of the phonon spectrum and dipole activity of the Si(111)2 x 1 surface. Our results are in good agreement with the experiment...