| Density-functional method for nonequilibrium electron transport M Brandbyge, JL Mozos, P Ordejón, J Taylor, K Stokbro Physical Review B 65 (16), 165401, 2002 | 6075 | 2002 |
| 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 | 1530 | 2019 |
| 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 | 594 | 2003 |
| Improved initial guess for minimum energy path calculations S Smidstrup, A Pedersen, K Stokbro, H Jónsson The Journal of chemical physics 140 (21), 2014 | 423 | 2014 |
| Theory of rectification in tour wires: The role of electrode coupling J Taylor, M Brandbyge, K Stokbro Physical review letters 89 (13), 138301, 2002 | 417 | 2002 |
| Do aviram− ratner diodes rectify? K Stokbro, J Taylor, M Brandbyge Journal of the American Chemical Society 125 (13), 3674-3675, 2003 | 309 | 2003 |
| 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 | 294 | 2016 |
| 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 | 288 | 2003 |
| 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 | 282 | 2003 |
| 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 | 272 | 2017 |
| 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 | 234 | 2010 |
| 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 | 179 | 2016 |
| 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 | 177 | 1998 |
| 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 | 175 | 2004 |
| Exploiting neurons with localized receptive fields to learn chaos K Stokbro, DK Umberger, JA Hertz Complex Systems 4 (3), 603-622, 1990 | 143 | 1990 |
| Hole trapping at Al impurities in silica: A challenge for density functional theories J Lægsgaard, K Stokbro Physical Review Letters 86 (13), 2834, 2001 | 141 | 2001 |
| 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 | 138 | 2002 |
| 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 | 119 | 2017 |
| 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 | 117 | 2003 |
| First-principles modeling of electron transport K Stokbro Journal of Physics: Condensed Matter 20 (6), 064216, 2008 | 113 | 2008 |
Anders BlomSynopsysVerified email at synopsys.com
Anders BlomSynopsysVerified email at synopsys.com