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Mads Brandbyge
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Density-functional method for nonequilibrium electron transport
M Brandbyge, JL Mozos, P Ordejón, J Taylor, K Stokbro
Physical Review B 65 (16), 165401, 2002
53882002
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
S Smidstrup, T Markussen, P Vancraeyveld, J Wellendorff, J Schneider, ...
Journal of Physics: Condensed Matter 32 (1), 015901, 2019
6882019
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au (1 1 1) surfaces via thiol and thiolate bonds
K Stokbro, J Taylor, M Brandbyge, JL Mozos, P Ordejon
Computational Materials Science 27 (1-2), 151-160, 2003
5622003
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
4742007
Theory of rectification in tour wires: The role of electrode coupling
J Taylor, M Brandbyge, K Stokbro
Physical review letters 89 (13), 138301, 2002
4012002
Quantized conductance in atom-sized wires between two metals
M Brandbyge, J Schio, MR So, P Stoltze, KW Jacobsen, JK No, L Olesen, ...
Physical Review B 52 (11), 8499, 1995
3931995
Mechanical deformation of atomic-scale metallic contacts: structure and mechanisms
MR Sørensen, M Brandbyge, KW Jacobsen
Physical Review B 57 (6), 3283, 1998
3391998
Transmission eigenchannels from nonequilibrium Green’s functions
M Paulsson, M Brandbyge
Physical Review B 76 (11), 115117, 2007
3192007
Do aviram− ratner diodes rectify?
K Stokbro, J Taylor, M Brandbyge
Journal of the American Chemical Society 125 (13), 3674-3675, 2003
2942003
Inelastic scattering and local heating in atomic gold wires
T Frederiksen, M Brandbyge, N Lorente, AP Jauho
Physical review letters 93 (25), 256601, 2004
2772004
Conductance eigenchannels in nanocontacts
M Brandbyge, MR Sørensen, KW Jacobsen
Physical Review B 56 (23), 14956, 1997
2621997
Electronically driven adsorbate excitation mechanism in femtosecond-pulse laser desorption
M Brandbyge, P Hedegård, TF Heinz, JA Misewich, DM Newns
Physical Review B 52 (8), 6042, 1995
2591995
TranSIESTA: a spice for molecular electronics
K Stokbro, J Taylor, M Brandbyge, P Ordejon
Annals of the New York Academy of Sciences 1006 (1), 212-226, 2003
2582003
Conductance switching in a molecular device: The role of side groups and intermolecular interactions
J Taylor, M Brandbyge, K Stokbro
Physical Review B 68 (12), 121101, 2003
2502003
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
2382017
Organometallic benzene-vanadium wire: A one-dimensional half-metallic ferromagnet
VV Maslyuk, A Bagrets, V Meded, A Arnold, F Evers, M Brandbyge, ...
Physical review letters 97 (9), 097201, 2006
2332006
Modeling inelastic phonon scattering in atomic-and molecular-wire junctions
M Paulsson, T Frederiksen, M Brandbyge
Physical Review B 72 (20), 201101, 2005
2312005
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
2302008
Electron and phonon transport in silicon nanowires: Atomistic approach to thermoelectric properties
T Markussen, AP Jauho, M Brandbyge
Physical Review B 79 (3), 035415, 2009
2252009
First-principles method for electron-phonon coupling and electron mobility: Applications to two-dimensional materials
T Gunst, T Markussen, K Stokbro, M Brandbyge
Physical Review B 93 (3), 035414, 2016
2192016
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