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Physical Review Letters|November 1, 2021
Atomic Structure Optimization with Machine-Learning Enabled Interpolation between Chemical ElementsSami Kaappa, Casper Larsen, Karsten Wedel JacobsenPhysical Review Letters|July 7, 2018
Rich Ground-State Chemical Ordering in Nanoparticles: Exact Solution of a Model for Ag-Au ClustersPeter Mahler Larsen, Karsten Wedel Jacobsen, Jakob SchiøtzJournal of the American Chemical Society|February 7, 2025
Activating the Basal Plane of 2D Transition Metal Dichalcogenides via High-Entropy AlloyingMohammad Amin Akhound, Karsten Wedel Jacobsen, Kristian Sommer ThygesenNanoscale Advances|September 22, 2022
Schottky barrier lowering due to interface states in 2D heterophase devicesLine Jelver, Daniele Stradi, Kurt Stokbro, et al.The Journal of Chemical Physics|December 23, 2020
Machine learning with bond information for local structure optimizations in surface scienceEstefanía Garijo Del Río, Sami Kaappa, José A Garrido Torres, et al.The Journal of Chemical Physics|July 2, 2018
Machine learning-based screening of complex molecules for polymer solar cellsPeter Bjørn Jørgensen, Murat Mesta, Suranjan Shil, et al.The Journal of Chemical Physics|March 7, 2024
GPAW: An open Python package for electronic structure calculationsJens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma, et al.Pageof 1