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Papers authored by Jakob Schiøtz

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2018 Jacob Madsen, Pei Liu, Jens Kling, Jakob Birkedal Wagner, Thomas Willum Hansen, Ole Winther, Jakob Schiøtz

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A Deep Learning Approach to Identify Local Structures in Atomic-Resolution Transmission Electron Microscopy Images

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2016 Peter Mahler Larsen, Søren Schmidt

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, Jakob Schiøtz

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Robust structural identification via polyhedral template matching

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Maria Escudero-Escribano

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, Paolo Malacrida, Martin H. Hansen, Ulrik G. Vej-Hansen, Amado Velazquez-Palenzuela, Vladimir Tripkovic

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, Jakob Schiotz

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, Jan Rossmeisl, Ifan E. L. Stephens

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, Ib Chorkendorff

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Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

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Ulrik Grønbjerg Vej-Hansen, Jan Rossmeisl, Ifan E. L. Stephens

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, Jakob Schiøtz

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Correlation between diffusion barriers and alloying energy in binary alloys

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2015 Miriam Varón, Marco Beleggia, Jelena Jordanovic, Jakob Schiøtz

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, Takeshi Kasama, Victor F. Puntes, Cathrine Frandsen

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Longitudinal domain wall formation in elongated assemblies of ferromagnetic nanoparticles

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Jelena Jordanovic, Marco Beleggia, Jakob Schiøtz

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, Cathrine Frandsen

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Simulations of super-structure domain walls in two dimensional assemblies of magnetic nanoparticles

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2011 Andreas Møgelhøj, André K. Kelkkanen, K. Thor Wikfeldt, Jakob Schiøtz

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, Jens Jørgen Mortensen, Lars G. M. Pettersson

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, Bengt I. Lundqvist, Karsten W. Jacobsen, Anders Nilsson, Jens K. Nørskov

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

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Simon H. Brodersen, Ulrik Grønbjerg, Britt Hvolbæk, Jakob Schiøtz

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Understanding the catalytic activity of gold nanoparticles through multi-scale simulations

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2010 B. Siemer, T. Olsen, T. Hoger, M. Rutkowski, C. Thewes, S. Düsterer, J. Schiøtz

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, H. Zacharias

Desorption of H atoms from graphite (0001) using XUV free electron laser pulses

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Thomas Olsen, Jakob Schiøtz

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Memory effects in nonadiabatic molecular dynamics at metal surfaces

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R. Frigge, T. Hoger, B. Siemer, H. Witte, M. Silies, H. Zacharias, T. Olsen, J. Schiøtz

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Site Specificity in Femtosecond Laser Desorption of Neutral H Atoms from Graphite(0001)

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J. Enkovaara, C. Rostgaard, J. J. Mortensen, J. Chen, M. Dułak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H. A. Hansen, H. H. Kristoffersen, M. Kuisma, A. H. Larsen, L. Lehtovaara, M. Ljungberg and 21 other authors

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

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A. Păduraru, A. P˘ Aduraru, U. G. Andersen, A. Thyssen, N. P. Bailey, K. W. Jacobsen, J. Schiøtz

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Computer simulations of nanoindentation in Mg–Cu and Cu–Zr metallic glasses

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Thomas Olsen, Jakob Schiøtz

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Quantum corrected Langevin dynamics for adsorbates on metal surfaces interacting with hot electrons

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Thomas Olsen, Jakob Schiøtz

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Vibrationally mediated control of single-electron transmission in weakly coupled molecule-metal junctions

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Troels Markussen, Jakob Schiötz

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, Kristian S. Thygesen

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Electrochemical control of quantum interference in anthraquinone-based molecular switches

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2009 Thomas Olsen, Jakob Schiøtz

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Origin of Power Laws for Reactions at Metal Surfaces Mediated by Hot Electrons

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Andreas Pedersen, Graeme Henkelman, Jakob Schiøtz

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, Hannes Jónsson

Long time scale simulation of a grain boundary in copper

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Jeppe Gavnholt, Angel Rubio, Thomas Olsen, Kristian S. Thygesen

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, Jakob Schiøtz

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Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

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2008 Thomas Olsen, Jeppe Gavnholt, Jakob Schiøtz

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Hot electron mediated desorption rates calculated from excited state potential energy surfaces

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