Thomas Frederiksen

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Citations	3524	1667
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i10-index	55	43

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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
Antti-Pekka JauhoProfessor of Theoretical Nanotechnology, Technical University of DenmarkVerified email at dtu.dk
Nick Rübner PapiorDTU ComputeVerified email at cc.dtu.dk
Nacho PascualCIC nanoGune, Cooperative Research CenterVerified email at nanogune.eu
Pedro Brandimarte MendonçaDonostia International Physics CenterVerified email at if.usp.br
Guillaume SchullCNRS- IPCMSVerified email at unistra.fr
Sofia Sanz WuhlDonostia International Physics CenterVerified email at dipc.org
Tetsuya ArugaProfessor of Chemistry Kyoto UniversityVerified email at kuchem.kyoto-u.ac.jp
Matthew C. SullivanProfessor of Physics, Ithaca CollegeVerified email at ithaca.edu
Laurent LimotUniversité de Strasbourg, CNRS, IPCMS UMR 7504, F-67000 Strasbourg, FranceVerified email at ipcms.unistra.fr
Takashi KumagaiFritz-Haber InstituteVerified email at fhi-berlin.mpg.de
Akitoshi ShiotariDepartment of Advanced Materials Sciences, The University of TokyoVerified email at k.u-tokyo.ac.jp
Deung-Jang (DJ) ChoiMaterials Physics Center (CFM-CSIC/UPV), San Sebastián, Spain.Verified email at dipc.org
Marek KolmerAmes LaboratoryVerified email at ameslab.gov
Diego Peña; ORCID: 0000-0003-3814...Associate Professor Organic Chemistry, CiQUS, Universidade de Santiago de CompostelaVerified email at usc.es

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	424	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	264	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	220	2008
Modeling inelastic phonon scattering in atomic-and molecular-wire junctions M Paulsson, T Frederiksen, M Brandbyge Physical Review B 72 (20), 201101, 2005	218	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	166	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	164	2007
Inelastic transport through molecules: Comparing first-principles calculations to experiments M Paulsson, T Frederiksen, M Brandbyge Nano letters 6 (2), 258-262, 2006	160	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	150	2011
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	147	2017
Passing current through touching molecules G Schull, T Frederiksen, M Brandbyge, R Berndt Physical review letters 103 (20), 206803, 2009	120	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	97	2012
Force-induced tautomerization in a single molecule JN Ladenthin, T Frederiksen, M Persson, JC Sharp, S Gawinkowski, ... Nature chemistry 8 (10), 935-940, 2016	92	2016
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	81	2015
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	69	2007
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	64	2012
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	64	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	60	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	57	2009
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), 1-7, 2019	55	2019
Force and conductance during contact formation to a C60 molecule N Hauptmann, F Mohn, L Gross, G Meyer, T Frederiksen, R Berndt New Journal of Physics 14 (7), 073032, 2012	53	2012

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