| Inelastic transport theory from first principles: Methodology and application to nanoscale devices T Frederiksen, M Paulsson, M Brandbyge, AP Jauho Physical Review B 75 (20), 205413, 2007 | 509 | 2007 |
| Improvements on non-equilibrium and transport Green function techniques: The next-generation transiesta N Papior, N Lorente, T Frederiksen, A García, M Brandbyge Computer Physics Communications 212, 8-24, 2017 | 303 | 2017 |
| Inelastic scattering and local heating in atomic gold wires T Frederiksen, M Brandbyge, N Lorente, AP Jauho Physical review letters 93 (25), 256601, 2004 | 279 | 2004 |
| Unified description of inelastic propensity rules for electron transport through nanoscale junctions M Paulsson, T Frederiksen, H Ueba, N Lorente, M Brandbyge Physical Review Letters 100 (22), 226604, 2008 | 237 | 2008 |
| Modeling inelastic phonon scattering in atomic-and molecular-wire junctions M Paulsson, T Frederiksen, M Brandbyge Physical Review B 72 (20), 201101, 2005 | 236 | 2005 |
| Conductance of alkanedithiol single-molecule junctions: a molecular dynamics study M Paulsson, C Krag, T Frederiksen, M Brandbyge Nano Letters 9 (1), 117-121, 2009 | 184 | 2009 |
| Controlled contact to a C60 molecule N Néel, J Kröger, L Limot, T Frederiksen, M Brandbyge, R Berndt Physical review letters 98 (6), 065502, 2007 | 173 | 2007 |
| Inelastic transport through molecules: Comparing first-principles calculations to experiments M Paulsson, T Frederiksen, M Brandbyge Nano letters 6 (2), 258-262, 2006 | 169 | 2006 |
| Atomic-scale engineering of electrodes for single-molecule contacts G Schull, T Frederiksen, A Arnau, D Sánchez-Portal, R Berndt Nature nanotechnology 6 (1), 23-27, 2011 | 163 | 2011 |
| Single spin localization and manipulation in graphene open-shell nanostructures J Li, S Sanz, M Corso, DJ Choi, D Peña, T Frederiksen, JI Pascual Nature communications 10 (1), 200, 2019 | 138 | 2019 |
| Passing current through touching molecules G Schull, T Frederiksen, M Brandbyge, R Berndt Physical Review Letters 103 (20), 206803, 2009 | 136 | 2009 |
| Force-induced tautomerization in a single molecule JN Ladenthin, T Frederiksen, M Persson, JC Sharp, S Gawinkowski, ... Nature chemistry 8 (10), 935-940, 2016 | 129 | 2016 |
| Uncovering the triplet ground state of triangular graphene nanoflakes engineered with atomic precision on a metal surface J Li, S Sanz, J Castro-Esteban, M Vilas-Varela, N Friedrich, T Frederiksen, ... Physical Review Letters 124 (17), 177201, 2020 | 124 | 2020 |
| H-atom relay reactions in real space T Kumagai, A Shiotari, H Okuyama, S Hatta, T Aruga, I Hamada, ... Nature Materials 11 (2), 167-172, 2012 | 115 | 2012 |
| Action spectroscopy for single-molecule reactions–Experiments and theory Y Kim, K Motobayashi, T Frederiksen, H Ueba, M Kawai Progress in Surface Science 90 (2), 85-143, 2015 | 106 | 2015 |
| Charge transport in azobenzene-based single-molecule junctions Y Kim, A Garcia-Lekue, D Sysoiev, T Frederiksen, U Groth, E Scheer Physical review letters 109 (22), 226801, 2012 | 83 | 2012 |
| From tunneling to contact: Inelastic signals in an atomic gold junction from first principles T Frederiksen, N Lorente, M Paulsson, M Brandbyge Physical Review B 75 (23), 235441, 2007 | 74 | 2007 |
| Magnetism of topological boundary states induced by boron substitution in graphene nanoribbons N Friedrich, P Brandimarte, J Li, S Saito, S Yamaguchi, I Pozo, D Peña, ... Physical Review Letters 125 (14), 146801, 2020 | 73 | 2020 |
| Dynamic Jahn-Teller effect in electronic transport through single C60 molecules T Frederiksen, KJ Franke, A Arnau, G Schulze, JI Pascual, N Lorente Physical Review B 78 (23), 233401, 2008 | 69 | 2008 |
| Characterization of single-molecule pentanedithiol junctions by inelastic electron tunneling spectroscopy and first-principles calculations CR Arroyo, T Frederiksen, G Rubio-Bollinger, M Vélez, A Arnau, ... Physical Review B 81 (7), 075405, 2010 | 68 | 2010 |
Mads BrandbygeProfessor at DTU-Physics, Tech. Univ. of DenmarkVerified email at dtu.dk
