Recent Publications
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Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001)
2017-02-15
Authors: Getachew G. Kebede, Daniel Spångberg, Pavlin D. Mitev, Peter Broqvist, and Kersti Hermansson
The Journal of Chemical Physics 146, 064703 (2017)
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H-bond and electric field correlations for water in highly hydrated crystals
2016-01-12
Authors: Anik Sen, Pavlin D. Mitev, Anders Eriksson, and Kersti Hermansson
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ReaxFF Force-Field for Ceria Bulk, Surfaces, and Nanoparticles
2015-06-30
Authors: Peter Broqvist, Jolla Kullgren, Matthew J. Wolf, Adri C. T. van Duin, and Kersti Hermansson
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Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an example
2015-02-18
Authors:Carsten Müller and Daniel Spångberg
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The Structure and Properties of Clean Steps at Oxide Surfaces
2015-02-18
Authors: Matthew J. Wolf, Alexander L. Shluger
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Water-Induced Oxidation and Dissociation of Small Cu Clusters on ZnO(101̅0)
2015-02-11
Authors: Matti Hellström, Daniel Spångberg, Peter Broqvist, and Kersti Hermansson