Improved initial guess for minimum energy path calculations
Smidstrup, Søren, Pedersen, Andreas, Stokbro, Kurt, Jónsson, Hannes
Published in The Journal of chemical physics (07.06.2014)
Published in The Journal of chemical physics (07.06.2014)
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Journal Article
ATK-ForceField: a new generation molecular dynamics software package
Schneider, Julian, Hamaekers, Jan, Chill, Samuel T, Smidstrup, Søren, Bulin, Johannes, Thesen, Ralph, Blom, Anders, Stokbro, Kurt
Published in Modelling and simulation in materials science and engineering (30.10.2017)
Published in Modelling and simulation in materials science and engineering (30.10.2017)
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Journal Article
TranSIESTA: A Spice for Molecular Electronics
STOKBRO, KURT, TAYLOR, JEREMY, BRANDBYGE, MADS, ORDEJÓN, PABLO
Published in Annals of the New York Academy of Sciences (01.12.2003)
Published in Annals of the New York Academy of Sciences (01.12.2003)
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Journal Article
Atomistic simulation of a III-V p-i-n junction: Comparison of density functional and tight-binding approaches
Stokbro, Kurt, Blom, Anders, Smidstrup, Soren
Published in 2013 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2013)
Published in 2013 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2013)
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Conference Proceeding
Method for determining optimal supercell representation of interfaces
Stradi, Daniele, Jelver, Line, Smidstrup, Søren, Stokbro, Kurt
Published in Journal of physics. Condensed matter (10.05.2017)
Published in Journal of physics. Condensed matter (10.05.2017)
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Journal Article
QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Smidstrup, Søren, Markussen, Troels, Vancraeyveld, Pieter, Wellendorff, Jess, Schneider, Julian, Gunst, Tue, Verstichel, Brecht, Stradi, Daniele, Khomyakov, Petr A, Vej-Hansen, Ulrik G, Lee, Maeng-Eun, Chill, Samuel T, Rasmussen, Filip, Penazzi, Gabriele, Corsetti, Fabiano, Ojanperä, Ari, Jensen, Kristian, Palsgaard, Mattias L N, Martinez, Umberto, Blom, Anders, Brandbyge, Mads, Stokbro, Kurt
Published in Journal of physics. Condensed matter (01.01.2020)
Published in Journal of physics. Condensed matter (01.01.2020)
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Journal Article
Self-Assembled Monolayers of CdSe Nanocrystals on Doped GaAs Substrates
Marx, Eike, Ginger, David S, Walzer, Karsten, Stokbro, Kurt, Greenham, Neil C
Published in Nano letters (01.08.2002)
Published in Nano letters (01.08.2002)
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Journal Article
Proximity Band Structure and Spin Textures on Both Sides of Topological-Insulator/Ferromagnetic-Metal Interface and Their Charge Transport Probes
Marmolejo-Tejada, Juan Manuel, Dolui, Kapildeb, Lazić, Predrag, Chang, Po-Hao, Smidstrup, Søren, Stradi, Daniele, Stokbro, Kurt, Nikolić, Branislav K
Published in Nano letters (13.09.2017)
Published in Nano letters (13.09.2017)
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Journal Article
Metal-InGaAs contact resistance calculations from first principles
Markussen, Troels, Stokbro, Kurt
Published in 2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2016)
Published in 2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2016)
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Conference Proceeding
Schottky barrier lowering due to interface states in 2D heterophase devices
Jelver, Line, Stradi, Daniele, Stokbro, Kurt, Jacobsen, Karsten Wedel
Published in Nanoscale advances (26.01.2021)
Published in Nanoscale advances (26.01.2021)
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Journal Article
Do Aviram−Ratner Diodes Rectify?
Stokbro, Kurt, Taylor, Jeremy, Brandbyge, Mads
Published in Journal of the American Chemical Society (02.04.2003)
Published in Journal of the American Chemical Society (02.04.2003)
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Journal Article
Complex band structure and electronic transmission eigenchannels
Jensen, Anders, Strange, Mikkel, Smidstrup, Søren, Stokbro, Kurt, Solomon, Gemma C, Reuter, Matthew G
Published in The Journal of chemical physics (14.12.2017)
Published in The Journal of chemical physics (14.12.2017)
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Journal Article
First-principles method for the phonon-limited resistivity of metals
Gunst, Tue, Blom, Anders, Stokbro, Kurt
Published in 2018 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2018)
Published in 2018 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2018)
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Conference Proceeding
Comprehensive comparison and experimental validation of band-structure calculation methods in III–V semiconductor quantum wells
Zerveas, George, Caruso, Enrico, Baccarani, Giorgio, Czornomaz, Lukas, Daix, Nicolas, Esseni, David, Gnani, Elena, Gnudi, Antonio, Grassi, Roberto, Luisier, Mathieu, Markussen, Troels, Osgnach, Patrik, Palestri, Pierpaolo, Schenk, Andreas, Selmi, Luca, Sousa, Marilyne, Stokbro, Kurt, Visciarelli, Michele
Published in Solid-state electronics (01.01.2016)
Published in Solid-state electronics (01.01.2016)
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Journal Article
New approaches for first-principles modelling of inelastic transport in nanoscale semiconductor devices with thousands of atoms
Gunst, Tue, Brandbyge, Mads, Palsgaard, Mattias, Markussen, Troels, Stokbro, Kurt
Published in 2017 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2017)
Published in 2017 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (01.09.2017)
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Conference Proceeding