Kristian Sommer Thygesen
Kristian Sommer Thygesen
Professor of Theoretical Physics, Technical University of Denmark
Bekræftet mail på fysik.dtu.dk
TitelCiteret afÅr
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ...
Journal of Physics: Condensed Matter 22 (25), 253202, 2010
11492010
Phonon-limited mobility in n-type single-layer MoS 2 from first principles
K Kaasbjerg, KS Thygesen, KW Jacobsen
Physical Review B 85 (11), 115317, 2012
7552012
Graphene on metals: A van der Waals density functional study
M Vanin, JJ Mortensen, AK Kelkkanen, JM Garcia-Lastra, KS Thygesen, ...
Physical Review B 81 (8), 081408, 2010
4322010
Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries
V Viswanathan, KS Thygesen, JS Hummelshøj, JK Nørskov, ...
The Journal of chemical physics 135 (21), 214704, 2011
4262011
The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
3972017
Observation of quantum interference in molecular charge transport
CM Guédon, H Valkenier, T Markussen, KS Thygesen, JC Hummelen, ...
Nature nanotechnology 7 (5), 305, 2012
3722012
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
JS Hummelshøj, J Blomqvist, S Datta, T Vegge, J Rossmeisl, ...
The Journal of chemical physics 132 (7), 071101, 2010
3412010
Computational 2D materials database: electronic structure of transition-metal dichalcogenides and oxides
FA Rasmussen, KS Thygesen
The Journal of Physical Chemistry C 119 (23), 13169-13183, 2015
3402015
Computational screening of perovskite metal oxides for optimal solar light capture
IE Castelli, T Olsen, S Datta, DD Landis, S Dahl, KS Thygesen, ...
Energy & Environmental Science 5 (2), 5814-5819, 2012
2682012
Conserving G W scheme for nonequilibrium quantum transport in molecular contacts
KS Thygesen, A Rubio
Physical Review B 77 (11), 115333, 2008
2402008
The relation between structure and quantum interference in single molecule junctions
T Markussen, R Stadler, KS Thygesen
Nano letters 10 (10), 4260-4265, 2010
2342010
Fully self-consistent GW calculations for molecules
C Rostgaard, KW Jacobsen, KS Thygesen
Physical Review B 81 (8), 085103, 2010
2252010
Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces
JM Garcia-Lastra, C Rostgaard, A Rubio, KS Thygesen
Physical Review B 80 (24), 245427, 2009
2172009
Localized atomic basis set in the projector augmented wave method
AH Larsen, M Vanin, JJ Mortensen, KS Thygesen, KW Jacobsen
Physical Review B 80 (19), 195112, 2009
2022009
Self-consistent GW calculations of electronic transport in thiol-and amine-linked molecular junctions
M Strange, C Rostgaard, H Häkkinen, KS Thygesen
Physical Review B 83 (11), 115108, 2011
1932011
Renormalization of molecular quasiparticle levels at metal-molecule interfaces: Trends across binding regimes
KS Thygesen, A Rubio
Physical Review Letters 102 (4), 046802, 2009
1812009
Stretching dependence of the vibration modes of a single-molecule bridge
D Djukic, KS Thygesen, C Untiedt, RHM Smit, KW Jacobsen, ...
Physical Review B 71 (16), 161402, 2005
1792005
Acoustic phonon limited mobility in two-dimensional semiconductors: Deformation potential and piezoelectric scattering in monolayer MoS 2 from first principles
K Kaasbjerg, KS Thygesen, AP Jauho
Physical Review B 87 (23), 235312, 2013
1672013
Finite size effects in chemical bonding: From small clusters to solids
J Kleis, J Greeley, NA Romero, VA Morozov, H Falsig, AH Larsen, J Lu, ...
Catalysis Letters 141 (8), 1067-1071, 2011
1582011
Dispersive and covalent interactions between graphene and metal surfaces from the random phase approximation
T Olsen, J Yan, JJ Mortensen, KS Thygesen
Physical review letters 107 (15), 156401, 2011
1562011
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Artikler 1–20