Karsten Wedel Jacobsen
- 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
- Published
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project. / Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes; Jiang, Tao; Tekin, Adem; Bork, Nicolai Christian; Dulak, Marcin; Mortensen, Jens Jørgen; Adamska, L.; Andersin, J.; Baran, J.D.; Barmparis, G.D.; Bell, F.; Benzanilla, A.L.; Bjork, J,; Björketun, Mårten; Bleken, F.; Buchter, F.; Bürkle, M.; Burton, P.D.; Buus, Bjarke Brink; Calborean, A.; Casolo, S.; Chandler, B.; Chi, D.H.; Czekaj, I.; Datta, S.; Datye, A.; DeLaRiva, A.; Despoja, V.; Dobrin, Sergey; Engelund, Mads; Ferrighi, L; Frondelius, P.; Fu, Q.; Fuentes, A.; Fürst, Joachim Alexander; Garcia-Fuente, A.; Gavnholt, Jeppe; Goeke, R.; Gudmundsdottir, S.; Hammond, K.D.; Hansen, Heine Anton; Hibbitts, D.; Howalt, Jakob Geelmuyden; Hruby, S. L.; Huth, A.; Isaeva, L.; Jelic, J.; Jensen, I.J.T.; Junior, E.H.; Kacprzak, K.A.; Kelkkanen, Kari André; Kelsey, D.; Kesanakurthi, D.S.; Kleis, Jesper; Klüpfel, P.J.; Konstantinov, I.; Korytar, R.; Koskinen, P.; Ande, C.K.; Kunkes, E.; Larsen, Ask Hjorth; Lastra, J.M.G.; Lin, H.; Lopez-Acevedo, O.; Mantega, M.; Martinez, Jose Ignacio; Mesa, I.N.; Mowbray, Duncan; Mýrdal, J.S.G.; Natanzon, Y.; Nistor, A.; Olsen, Thomas; Park, H.; Pedroza, L.S.; Petzold, Vivien Gabriele; Plaisance, C.; Rasmussen, J.A.; Ren, H.; Rizzi, M.; Ronco, A.S.; Rostgaard, Carsten; Saadi, Souheil; Salguero, L.A.; Santos, E.J.G.; Schoenhalz, A.L.; Shen, Juan; Smedemand, M.; Stausholm-Møller, O.J.; Jensen, Mogens O Stibius; Strange, Mikkel; Su, H.B.; Temel, B.; Toftelund, Anja; Tripkovic, Vladimir; Calle Vallejo, Federico; Vanin, Marco; Viswanathan, V.; Vojvodic, Aleksandra; Wang, Shengguang; Pedersen, Jess Wellendorff; Thygesen, Kristian Sommer; Rossmeisl, Jan; Bligaard, Thomas; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet; Vegge, Tejs.
In: Journal of Chemical Physics, Vol. 131, No. 1, 2009, p. 014101.Publication: Research - peer-review › Journal article – Annual report year: 2009
- Published
Inelastic scattering in metal-H-2-metal junctions. / Kristensen, I. S.; Paulsson, Magnus; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 79, No. 23, 2009, p. 235411.Publication: Research - peer-review › Journal article – Annual report year: 2009
- Published
Localized atomic basis set in the projector augmented wave method. / Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Physical Review B (Condensed Matter and Materials Physics), Vol. 80, No. 19, 2009, p. 195112.Publication: Research - peer-review › Journal article – Annual report year: 2009
- Published
Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping. / Mowbray, Duncan; Martinez, Jose Ignacio; García Lastra, Juan Maria; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, Vol. 113, No. 28, 2009, p. 12301-12308.Publication: Research - peer-review › Journal article – Annual report year: 2009
- 2008
- Published
Structure and transport properties of atomic chains and molecules. / Strange, Mikkel; Jacobsen, Karsten Wedel (Supervisor); Thygesen, Kristian Sommer (Supervisor).
2008.Publication: Research › Ph.d. thesis – Annual report year: 2008
- Published
Simulations of Mechanical Properties of CuZr and CuMg Metallic Glasses. / Paduraru, Anca; Schiøtz, Jakob (Supervisor); Jacobsen, Karsten Wedel (Supervisor).
2008.Publication: Research › Ph.d. thesis – Annual report year: 2008
- Published
Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains. / Strange, Mikkel; Thygesen, Kristian Sommer; Sethna, James P; Jacobsen, Karsten Wedel.
In: Physical Review Letters, Vol. 101, No. 9, 2008, p. 096804.Publication: Research - peer-review › Journal article – Annual report year: 2008
- Published
Benchmark density functional theory calculations for nanoscale conductance. / Strange, Mikkel; Bækgaard, Iben Sig Buur; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Journal of Chemical Physics, Vol. 128, No. 11, 2008, p. 114714.Publication: Research - peer-review › Journal article – Annual report year: 2008
- Published
Comparative study of anchoring groups for molecular electronics: structure and conductance of Au-S-Au and Au-NH2-Au junctions. / Kristensen, Iben Sig; Mowbray, Duncan; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.
In: Journal of Physics: Condensed Matter, Vol. 20, No. 37, 2008, p. 374101.Publication: Research - peer-review › Journal article – Annual report year: 2008