Dr. Kristian Sommer Thygesen - 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)
Design of two-photon molecular tandem architectures for solar cells by ab initio theory
Kristian Baruël Ørnsø, Juan Maria Garcia-Lastra, Gema de la Torre,F. J. Himpsel, Angel Rubio, Kristian Sommer Thygesen
Chemical Science 6, 3018 - 3025 (2015)
Carbon nanotubes as heat dissipaters in microelectronics
Alejandro Pérez Paz, Juan María García-Lastra, Troels Markussen, Kristian Sommer Thygesen,, Angel Rubio
European Physical Journal B 86, 234 - 247 (2013)
Renormalization of optical excitations in gas molecules near metal surfaces
J.M. García-Lastra, K.S. Thygesen
Physical Review Letters 106, 187402 (2011)
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)
Strong excitonic and vibronic effects determine the optical properties of Li2O2
J.M. García-Lastra, J.D. Bass, K.S. Thygesen
Journal of Chemical Physics 135, 121101 (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)
First-principles calculations of optical gaps and exciton binding energies in molecules adsorbed on metal surfaces
Juan Maria Garcia-Lastra, Kristian S. Thygesen
Physical Review Letters (2010)
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)
Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes
K.S. Thygesen, A. Rubio
Physical Review Letters 102, 46802 (2009)