Thomas Frederiksen

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	All	Since 2015
Citations	3358	1777
h-index	26	23
i10-index	56	47

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Co-authors

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
Pedro Brandimarte MendonçaDonostia International Physics CenterVerified email at if.usp.br
Nacho PascualCIC nanoGune, Cooperative Research CenterVerified email at nanogune.eu
Guillaume SchullCNRS- IPCMSVerified email at unistra.fr
Tetsuya ArugaProfessor of Chemistry Kyoto UniversityVerified email at kuchem.kyoto-u.ac.jp
Matthew C. SullivanProfessor of Physics, Ithaca CollegeVerified email at ithaca.edu
Sofia Sanz WuhlDonostia International Physics CenterVerified email at dipc.org
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
Marek KolmerAmes LaboratoryVerified email at ameslab.gov
Deung-Jang (DJ) ChoiMaterials Physics Center (CFM-CSIC/UPV), San Sebastián, Spain.Verified email at dipc.org
Nicolas AgraitUniv Autonoma Madrid, IMDEA nanoscienceVerified email at uam.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	413	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	257	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	216	2008
Modeling inelastic phonon scattering in atomic-and molecular-wire junctions M Paulsson, T Frederiksen, M Brandbyge Physical Review B 72 (20), 201101, 2005	210	2005
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	163	2007
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	160	2009
Inelastic transport through molecules: Comparing first-principles calculations to experiments M Paulsson, T Frederiksen, M Brandbyge Nano letters 6 (2), 258-262, 2006	159	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	148	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	126	2017
Passing current through touching molecules G Schull, T Frederiksen, M Brandbyge, R Berndt Physical Review Letters 103 (20), 206803, 2009	118	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	96	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	76	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	74	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	66	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	64	2010
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	59	2012
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	59	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	54	2009
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	51	2012
Efficient calculation of inelastic vibration signals in electron transport: Beyond the wide-band approximation JT Lü, RB Christensen, G Foti, T Frederiksen, T Gunst, M Brandbyge Physical Review B 89 (8), 081405, 2014	49	2014

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