Kristian Sommer Thygesen
Kristian Sommer Thygesen
Professor of Theoretical Physics, Technical University of Denmark
Email verificata su
Citata da
Citata da
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
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
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
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
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
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
Observation of quantum interference in molecular charge transport
CM Guédon, H Valkenier, T Markussen, KS Thygesen, JC Hummelen, ...
Nature nanotechnology 7 (5), 305-309, 2012
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
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
S Haastrup, M Strange, M Pandey, T Deilmann, PS Schmidt, NF Hinsche, ...
2D Materials 5 (4), 042002, 2018
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
The relation between structure and quantum interference in single molecule junctions
T Markussen, R Stadler, KS Thygesen
Nano letters 10 (10), 4260-4265, 2010
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
Conserving G W scheme for nonequilibrium quantum transport in molecular contacts
KS Thygesen, A Rubio
Physical Review B 77 (11), 115333, 2008
Fully self-consistent GW calculations for molecules
C Rostgaard, KW Jacobsen, KS Thygesen
Physical Review B 81 (8), 085103, 2010
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
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
Electrochemical CO2 and CO Reduction on Metal-Functionalized Porphyrin-like Graphene
V Tripkovic, M Vanin, M Karamad, ME Björketun, KW Jacobsen, ...
The Journal of Physical Chemistry C 117 (18), 9187-9195, 2013
How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS 2
F Hüser, T Olsen, KS Thygesen
Physical Review B 88 (24), 245309, 2013
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
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
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20