| Inelastic transport theory from first principles: Methodology and application to nanoscale devices T Frederiksen, M Paulsson, M Brandbyge, AP Jauho Physical Review B—Condensed Matter and Materials Physics 75 (20), 205413, 2007 | 541 | 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 | 399 | 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 | 281 | 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 | 243 | 2008 |
| Modeling inelastic phonon scattering in atomic-and molecular-wire junctions M Paulsson, T Frederiksen, M Brandbyge Physical Review B—Condensed Matter and Materials Physics 72 (20), 201101, 2005 | 241 | 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 | 194 | 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 | 178 | 2007 |
| Inelastic transport through molecules: Comparing first-principles calculations to experiments M Paulsson, T Frederiksen, M Brandbyge Nano letters 6 (2), 258-262, 2006 | 175 | 2006 |
| 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 | 174 | 2019 |
| 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 | 168 | 2011 |
| 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 | 162 | 2020 |
| Force-induced tautomerization in a single molecule JN Ladenthin, T Frederiksen, M Persson, JC Sharp, S Gawinkowski, ... Nature chemistry 8 (10), 935-940, 2016 | 137 | 2016 |
| Passing current through touching molecules G Schull, T Frederiksen, M Brandbyge, R Berndt Physical Review Letters 103 (20), 206803, 2009 | 136 | 2009 |
| 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 | 130 | 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 | 120 | 2015 |
| Topological phase transition in chiral graphene nanoribbons: from edge bands to end states J Li, S Sanz, N Merino-Díez, M Vilas-Varela, A Garcia-Lekue, M Corso, ... Nature communications 12 (1), 5538, 2021 | 113 | 2021 |
| 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 | 102 | 2020 |
| On‐surface synthesis and collective spin excitations of a triangulene‐based nanostar J Hieulle, S Castro, N Friedrich, A Vegliante, FR Lara, S Sanz, D Rey, ... Angewandte Chemie International Edition 60 (48), 25224-25229, 2021 | 98 | 2021 |
| 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 | 90 | 2012 |
| Carbon-based nanostructures as a versatile platform for tunable π-magnetism DG de Oteyza, T Frederiksen Journal of Physics: Condensed Matter 34 (44), 443001, 2022 | 75 | 2022 |
Mads BrandbygeProfessor at DTU-Physics, Tech. Univ. of DenmarkVerified email at dtu.dk