Thomas Frederiksen

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Mads BrandbygeProfessor at DTU-Physics, Tech. Univ. of DenmarkVerified email at dtu.dk
Magnus PaulssonLinnéuniversitetetVerified email at lnu.se
Daniel Sanchez-PortalResearch Professor at Centro de Física de Materiales, CSIC-UPV/EHU and DIPCVerified email at ehu.es
andres arnauUniversidad del Pais VascoVerified email at ehu.es
Nicolas LorenteInvestigador Científico, CSICVerified email at ehu.eus
Aran Garcia-LekueIkerbasque Research Associate, Donostia International Physics Center (DIPC)Verified email at ehu.eus
Nick Rübner PapiorDTU ComputeVerified email at cc.dtu.dk
Antti-Pekka JauhoProfessor of Theoretical Nanotechnology, Technical University of DenmarkVerified email at dtu.dk
Nacho PascualCIC nanoGune, Cooperative Research CenterVerified email at nanogune.eu
Pedro Brandimarte MendonçaDonostia International Physics CenterVerified email at if.usp.br
Sofia Sanz WuhlDonostia International Physics CenterVerified email at dipc.org
Diego Peña; ORCID: 0000-0003-3814...Full Professor Organic Chemistry, CiQUS, Universidade de Santiago de CompostelaVerified email at usc.es
Guillaume SchullCNRS- IPCMSVerified email at unistra.fr
Niklas FriedrichCIC nanoguneVerified email at rwth-aachen.de
Tetsuya ArugaProfessor of Chemistry Kyoto UniversityVerified email at kuchem.kyoto-u.ac.jp
Matthew C. SullivanProfessor of Physics, Ithaca CollegeVerified email at ithaca.edu
C. J. LobbProfessor of Physics, University of MarylandVerified email at umd.edu
Rainer HergesProfessor der Chemie, Kiel UniversityVerified email at oc.uni-kiel.de
Takashi KumagaiFritz-Haber InstituteVerified email at fhi-berlin.mpg.de
Laurent LimotUniversité de Strasbourg, CNRS, IPCMS UMR 7504, F-67000 Strasbourg, FranceVerified email at ipcms.unistra.fr

Thomas Frederiksen

Ikerbasque Research Professor, Donostia International Physics Center

Verified email at ehu.es - Homepage

Nanoelectronics Quantum Physics Computer simulations


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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	485	2007
Inelastic scattering and local heating in atomic gold wires T Frederiksen, M Brandbyge, N Lorente, AP Jauho Physical review letters 93 (25), 256601, 2004	278	2004
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	244	2017
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	231	2008
Modeling inelastic phonon scattering in atomic-and molecular-wire junctions M Paulsson, T Frederiksen, M Brandbyge Physical Review B 72 (20), 201101, 2005	230	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	178	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	171	2007
Inelastic transport through molecules: Comparing first-principles calculations to experiments M Paulsson, T Frederiksen, M Brandbyge Nano letters 6 (2), 258-262, 2006	167	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	159	2011
Passing current through touching molecules G Schull, T Frederiksen, M Brandbyge, R Berndt Physical Review Letters 103 (20), 206803, 2009	131	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	122	2016
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	109	2019
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	107	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	100	2015
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	86	2020
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	77	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	73	2007
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
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	66	2008
Exploring the tilt-angle dependence of electron tunneling across molecular junctions of self-assembled alkanethiols T Frederiksen, C Munuera, C Ocal, M Brandbyge, M Paulsson, ... ACS nano 3 (8), 2073-2080, 2009	61	2009

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