Karsten Wedel Jacobsen
- 2006
- Published
Atomistic simulation study of the shear-band deformation mechanism in Mg-Cu metallic glasses. / Bailey, Nicholas; Schiøtz, Jakob; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 73, No. 6, 2006, p. 064108.Publication: Research - peer-review › Journal article – Annual report year: 2006
- Published
Computational materials design from first principles. / Pedersen, Thomas Bligaard; Andersson, Martin; Jacobsen, Karsten Wedel; Skriver, Hans Lomholt; Christensen, Claus H.; Nørskov, Jens Kehlet.
In: MRS Bulletin, No. december issue, 2006.Publication: Research - peer-review › Journal article – Annual report year: 2006
- Published
Electron transport in a Pt-CO-Pt nanocontact: Density functional theory calculations. / Strange, Mikkel; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 73, No. 12, 2006, p. 125424.Publication: Research - peer-review › Journal article – Annual report year: 2006
- Published
Fermi level alignment in molecular nanojunctions and its relation to charge transfer. / Stadler, Robert; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 74, No. 16, 2006, p. 164105.Publication: Research - peer-review › Journal article – Annual report year: 2006
- 2005
- Published
An ab initio study of electron transport through nitrobenzene: The influence of leads and contacts. / Stadler, Robert; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Nanotechnology, Vol. 16, 2005, p. S155-S160.Publication: Research - peer-review › Journal article – Annual report year: 2005
- Published
Bayesian error estimation in density-functional theory. / Mortensen, Jens Jørgen; Kaasbjerg, Kristen; Frederiksen, Søren Lund; Nørskov, Jens Kehlet; Sethna, J.P.; Jacobsen, Karsten Wedel.
In: Physical Review Letters, Vol. 95, No. 21, 2005, p. 216401.Publication: Research - peer-review › Journal article – Annual report year: 2005
- Published
Conduction Mechanism in a Molecular Hydrogen Contact. / Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review Letters, Vol. 94, No. 3, 2005, p. 036807.Publication: Research - peer-review › Journal article – Annual report year: 2005
- Published
Forces and conductances in a single-molecule bipyridine junction. / Stadler, Robert; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 72, No. 24, 2005, p. 241401.Publication: Research - peer-review › Journal article – Annual report year: 2005
- Published
Interference and k-point sampling in the supercell approach to phase-coherent transport - art. no. 0333401. / Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 72, No. 3, 2005, p. 033401.Publication: Research - peer-review › Journal article – Annual report year: 2005
- Published
Molecular transport calculations with Wannier Functions. / Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Chemical Physics, Vol. 319, No. 1-3, 2005, p. 111-125.Publication: Research - peer-review › Journal article – Annual report year: 2005