Karsten Wedel Jacobsen
- 2010
- Published
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery. / Hummelshøj, Jens Strabo; Blomquist, Jakob; Datta, Soumendu; Vegge, Tejs; Rossmeisl, Jan; Thygesen, Kristian Sommer; Luntz, A. C.; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet.
In: Journal of Chemical Physics, Vol. 132, No. 7, 2010, p. 071101.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses. / Paduraru, Anca; Andersen, Ulrik Grønbjerg; Thyssen, Anders; Bailey, Nicholas; Jacobsen, Karsten Wedel; Schiøtz, Jakob.
In: Modelling and Simulation in Materials Science and Engineering, Vol. 18, No. 5, 2010, p. 055006.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes. / Mowbray, Duncan; García Lastra, Juan Maria; Thygesen, Kristian Sommer; Rubio, A.; Jacobsen, Karsten Wedel.
In: Physica Status Solidi. B: Basic Research, Vol. 247, No. 11-12, 2010, p. 2678.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. / Enkovaara, J.; Rostgaard, Carsten; Mortensen, Jens Jørgen; Chen, Jingzhe; Dulak, M.; Ferrighi, L.; Gavnholt, J.; Glinsvad, Christian; Haikola, V.; Hansen, H.A.; Kristoffersen, H.H.; Kuisma, M.; Larsen, A.H.; Lehtovaara, L.; Ljungberg, M.; Lopez-Acevedo, O.; Moses, Poul Georg; Ojanen, J.; Olsen, T.; Petzold, Vivien Gabriele; Romero, N.A.; Stausholm-Moller, J.; Strange, Mikkel; Tritsaris, Georgios; Vanin, Marco; Walter, M.; Hammer, B.; Hakkinen, H.; Madsen, G.K.H.; Nieminen, R.M.; Nørskov, Jens Kehlet; Puska, M.; Rantala, T.T.; Schiotz, J.; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Journal of Physics: Condensed Matter, Vol. 22, No. 25, 2010.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
First-principles calculations of graphene nanoribbons in gaseous environments: Structural and electronic properties. / Vanin, Marco; Gath, Jesper; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 82, No. 19, 2010.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
First-principles modelling of scanning tunneling microscopy using non-equilibrium Green's functions. / Lin, H.P.; Rauba, J.M.C.; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel; Simmons, M.Y.; Hofer, W.A.
In: Frontiers of Physics in China, Vol. 5, No. 4, 2010, p. 369-379.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Fully self-consistent GW calculations for molecules. / Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 81, No. 8, 2010, p. 085103.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Graphene on metals: A van der Waals density functional study. / Vanin, Marco; Mortensen, Jens Jørgen; Kelkkanen, Kari André; García Lastra, Juan Maria; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 81, No. 8, 2010, p. 081408.Publication: Research - peer-review › Journal article – Annual report year: 2010
- Published
Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes. / García Lastra, Juan Maria; Mowbray, Duncan; Thygesen, Kristian Sommer; Rubio, A.; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 81, No. 24, 2010, p. 245429.Publication: Research - peer-review › Journal article – Annual report year: 2010
- 2009
- Published
Computational Modeling of Molecular Junctions: Transport, Structure and Inelastic effects. / Bækgaard, Iben Sig Buur; Jacobsen, Karsten Wedel (Supervisor); Thygesen, Kristian Sommer (Supervisor).
Kgs. Lyngby, Denmark : Technical University of Denmark (DTU), 2009.Publication: Research › Ph.d. thesis – Annual report year: 2009