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Kurt Stokbro
Kurt Stokbro
CEO
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Zitiert von
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Density-functional method for nonequilibrium electron transport
M Brandbyge, JL Mozos, P Ordejón, J Taylor, K Stokbro
Physical Review B 65 (16), 165401, 2002
59142002
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
S Smidstrup, T Markussen, P Vancraeyveld, J Wellendorff, J Schneider, ...
Journal of Physics: Condensed Matter 32 (1), 015901, 2019
13522019
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au (1 1 1) surfaces via thiol and thiolate bonds
K Stokbro, J Taylor, M Brandbyge, JL Mozos, P Ordejon
Computational Materials Science 27 (1-2), 151-160, 2003
5872003
Theory of rectification in tour wires: The role of electrode coupling
J Taylor, M Brandbyge, K Stokbro
Physical review letters 89 (13), 138301, 2002
4142002
Improved initial guess for minimum energy path calculations
S Smidstrup, A Pedersen, K Stokbro, H Jónsson
The Journal of chemical physics 140 (21), 2014
3882014
Do aviram− ratner diodes rectify?
K Stokbro, J Taylor, M Brandbyge
Journal of the American Chemical Society 125 (13), 3674-3675, 2003
3062003
First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials
T Gunst, T Markussen, K Stokbro, M Brandbyge
Physical Review B 93 (3), 035414, 2016
2822016
Conductance switching in a molecular device: The role of side groups and intermolecular interactions
J Taylor, M Brandbyge, K Stokbro
Physical Review B 68 (12), 121101, 2003
2812003
TranSIESTA: a spice for molecular electronics
K Stokbro, J Taylor, M Brandbyge, P Ordejon
Annals of the New York Academy of Sciences 1006 (1), 212-226, 2003
2782003
First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach
S Smidstrup, D Stradi, J Wellendorff, PA Khomyakov, UG Vej-Hansen, ...
Physical Review B 96 (19), 195309, 2017
2562017
Semiempirical model for nanoscale device simulations
K Stokbro, DE Petersen, S Smidstrup, A Blom, M Ipsen, K Kaasbjerg
Physical Review B—Condensed Matter and Materials Physics 82 (7), 075420, 2010
2302010
STM-induced hydrogen desorption via a hole resonance
K Stokbro, C Thirstrup, M Sakurai, U Quaade, BYK Hu, F Perez-Murano, ...
Physical review letters 80 (12), 2618, 1998
1761998
Electron transport through monovalent atomic wires
YJ Lee, M Brandbyge, MJ Puska, J Taylor, K Stokbro, RM Nieminen
Physical Review B 69 (12), 125409, 2004
1752004
General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function
D Stradi, U Martinez, A Blom, M Brandbyge, K Stokbro
Physical Review B 93 (15), 155302, 2016
1702016
Exploiting neurons with localized receptive fields to learn chaos
K Stokbro, DK Umberger, JA Hertz
Complex Systems 4 (3), 603-622, 1990
1431990
Hole trapping at Al impurities in silica: A challenge for density functional theories
J Lægsgaard, K Stokbro
Physical Review Letters 86 (13), 2834, 2001
1412001
Current-Voltage Curves of Atomic-Sized Transition Metal Contacts:<? format?> An Explanation of Why Au is Ohmic and Pt is Not
SK Nielsen, M Brandbyge, K Hansen, K Stokbro, JM Van Ruitenbeek, ...
Physical review letters 89 (6), 066804, 2002
1382002
Origin of current-induced forces in an atomic gold wire: A first-principles study
M Brandbyge, K Stokbro, J Taylor, JL Mozos, P Ordejón
Physical Review B 67 (19), 193104, 2003
1152003
First-principles modeling of electron transport
K Stokbro
Journal of Physics: Condensed Matter 20 (6), 064216, 2008
1122008
ATK-ForceField: a new generation molecular dynamics software package
J Schneider, J Hamaekers, ST Chill, S Smidstrup, J Bulin, R Thesen, ...
Modelling and Simulation in Materials Science and Engineering 25 (8), 085007, 2017
1102017
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