Dr. David Jacob - Publications

Years

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These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

The atomic simulation environment—a Python library for working with atoms
Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen, Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz, Ole Schütt, Mikkel Strange, Kristian S Thygesen, Tejs Vegge, Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, Karsten W Jacobsen
Journal Of Physics-Condensed Matter 29, 273002 (2017)
Non-locally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor
Shichao Yan, Luigi Malavolti, Jacob A. J. Burgess, Andrea Droghetti, Angel Rubio, Sebastian Loth
Science Advances 3, e1603137 (2017)
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters
Lin Li, Ask Hjorth Larsen, Nichols Anthony Romero, Vitali Morozov, Christian Glinsvad, Frank Abild-Pedersen, Jeffrey P Greeley, Karsten Wedel Jacobsen, Jens K Nørskov
Journal Of Physical Chemistry Letters 4, 222 - 226 (2012)
Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps
Yann Tison, Kenneth Nielsen, Duncan J. Mowbray, Lone Bech, Christian Holse, Federico Calle-Vallejo, Kirsten Andersen, Jens J. Mortensen, Karsten W. Jacobsen,, Jane H. Nielsen
Journal Of Physical Chemistry C 116, 14350 - 14359 (2012)
Electronic shell structure and chemisorption on gold nanoparticles
Ask Hjorth Larsen, Jesper Kleis, Kristian Sommer Thygesen, Jens Nørskov, Karsten Wedel Jacobsen
Physical Review B 84, 245429 (2011)
Trends in Metal Oxide Stability for Nanorods, Nanotubes, and Surfaces
D. J. Mowbray, J. I. Martínez, F. Calle-Vallejo, J. Rossmeisl, K. S. Thygesen, K. W. Jacobsen, J. K. Nørskov
Journal Of Physical Chemistry C 115, 2244 - 2252 (2011)
Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
J. Kleis, J. Greeley, N. A. Romero, V. A. Morozov, H. Falsig, A. H. Larsen, J. Lu, J. J. Mortensen, M. Dułak, K. S. Thygesen, J. K. Nørskov, K. W. Jacobsen
Catalysis Letters 141, 1067 - 1071 (2011)
Computational design of chemical nanosensors: Transition metal doped single-walled carbon nanotubes
Duncan J. Mowbray, Juan María García-Lastra, Iker Larraza Arocena, Ángel Rubio, Kristian S. Thygesen, Karsten W. Jacobsen
Chemical Sensors: Simulation and Modeling, Ed. Ghenadii Korotcenkov, Momentum Press, Highland Park, NJ Vol. 2, p. 339 - 377 (2011)
Graphene on metals: a Van der Waals density functional study
M. Vanin, J.J. Mortensen, A.K. Kelkkanen, J.M García-Lastra, K.S. Thygesen, K.W. Jacobsen
Physical Review B 81, 081408 (2010)
Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes
J. M. García-Lastra, D.J. Mowbray, K. S. Thygesen, A. Rubio, K.W. Jacobsen
Physical Review B 81, 245429 (2010)
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, Carsten Rostgaard, Jens Jørgen Mortensen, Jingzhe Chen, M Dułak, L Ferrighi, J Gavnholt, Christian Glinsvad, V Haikola, HA Hansen, HH Kristoffersen, M Kuisma, AH Larsen, L Lehtovaara, Mathias Ljungberg, O Lopez-Acevedo, Poul Georg Moses, J Ojanen, T Olsen, V Petzold, NA Romero, J Stausholm-Møller, Mikkel Strange, GA Tritsaris, Marco Vanin, M Walter, B Hammer, H Häkkinen, GKH Madsen, RM Nieminen, Jens Kehlet Nørskov, M Puska, TT Rantala, J Schiøtz, Kristian Sommer Thygesen, Karsten Wedel Jacobsen
Journal Of Physics-Condensed Matter 22, 253202 (2010)
Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes
D.J. Mowbray, J.M. García-Lastra, K.S. Thygesen, A. Rubio, K.W. Jacobsen
Physica Status Solidi B 247, 2678 - 2682 (2010)
Localized atomic basis set in the projector augmented wave method
Ask Hjorth Larsen, Marco Vanin, Jens Jørgen Mortensen, Kristian Sommer Thygesen, Karsten Wedel Jacobsen
Physical Review B 80, 195112 (2009)
Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping
D.J. Mowbray, J.I. Martínez, J.M. García-Lastra, K.S. Thygesen, K.W. Jacobsen
Journal Of Physical Chemistry C 113, 12301 - 12308 (2009)
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
J. S. Hummelshøj, D. D. Landis, J. Voss, T. Jiang, A. Tekin, N. Bork, M. Dulak, J. J. Mortensen, L. Adamska, J. Andersin, J. D. Baran, G. D. Barmparis, F. Bell, A. L. Bezanilla, J. Bjork, M. E. Björketun, F. Bleken, F. Buchter, M. Bürkle, P. D. Burton, B. B. Buus, A. Calborean, F. Calle-Vallejo, S. Casolo, B. D. Chandler, D. H. Chi, I Czekaj, S. Datta, A. Datye, A. DeLaRiva, V Despoja, S. Dobrin, M. Engelund, L. Ferrighi, P. Frondelius, Q. Fu, A. Fuentes, J. Fürst, A. García-Fuente, J. Gavnholt, R. Goeke, S. Gudmundsdottir, K. D. Hammond, H. A. Hansen, D. Hibbitts, E. Hobi, Jr., J. G. Howalt, S. L. Hruby, A. Huth, L. Isaeva, J. Jelic, I. J. T. Jensen, K. A. Kacprzak, A. Kelkkanen, D. Kelsey, D. S. Kesanakurthi, J. Kleis, P. J. Klüpfel, I Konstantinov, R. Korytar, P. Koskinen, C. Krishna, E. Kunkes, A. H. Larsen, J. M. García Lastra, H. Lin, O. Lopez-Acevedo, M. Mantega, J. I. Martínez, I. N. Mesa, D. J. Mowbray, J. S. G. Mýrdal, Y. Natanzon, A. Nistor, T. Olsen, H. Park, L. S. Pedroza, V Petzold, C. Plaisance, J. A. Rasmussen, H. Ren, M. Rizzi, A. S. Ronco, C. Rostgaard, S. Saadi, L. A. Salguero, E. J. G. Santos, A. L. Schoenhalz, J. Shen, M. Smedemand, O. J. Stausholm-Møller, M. Stibius, M. Strange, H. B. Su, B. Temel, A. Toftelund, V Tripkovic, M. Vanin, V Viswanathan, A. Vojvodic, S. Wang, J. Wellendorff, K. S. Thygesen, J. Rossmeisl, T. Bligaard, K. W. Jacobsen, J. K. Nørskov, T. Vegge
Journal of Chemical Physics 131, 014101 (2009)