517 citations · 952 across the 16 of their papers we have counts for
16 papers
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Jan Kloppenburg, Andreas Pedersen, Kari Laasonen +2
Icosahedral Au clusters with three and four shells of atoms are found to deviate significantly from the commonly assumed Mackay structures. By introducing additional atoms in the s…
Atomic and electronic structures of a vacancy in amorphous silicon
Andreas Pedersen, Laurent Pizzagalli, Hannes Jonsson
Locally, the atomic structure in well annealed amorphous silicon appears similar to that of crystalline silicon. We address here the question whether a point defect, specifically a…
Pushing Back the Limit of Ab-initio Quantum Transport Simulations on Hybrid Supercomputers
Mauro Calderara, Sascha Brueck, Andreas Pedersen +3
The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly…
Electronic Properties of Lithiated SnO-based Anode Materials
Dominik Bauer, Teute Bunjaku, Andreas Pedersen +1
In this paper we use an ab-initio quantum transport approach to study the electron current flowing through lithiated SnO anodes for potential applications in Li-ion batteries. By i…
Diffusion Mechanisms in LiCoO -- A Computational Study
Teutë Bunjaku, Andreas Pedersen, Mathieu Luisier
An atomistic study of the order-effect occurring in LiCoO at is presented and an explanation for the computationally and experimentally observed dip in the Li d…
Single Atom Plasmonic Switch
Alexandros Emboras, Jens Niegemann, Ping Ma +5
The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still d…