Institut für Numerische Simulation (INS): Browsing Institut für Numerische Simulation (INS) by Author "Barker, James"
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A multilevel approach to the evolutionary generation of polycrystalline structures
Barker, James; Bollerhey, Gregor; Hamaekers, Jan (2015-11)The Poisson-Voronoi tesselation is commonly used as an approximation to the microstructure of polycrystalline material. Although simple, this approximation fails to respect basic physical properties observed empirically, ... -
Localized Coulomb descriptors for the Gaussian Approximation Potential
Barker, James; Bulin, Johannes; Hamaekers, Jan; Mathias, Sonja (2016-02)We introduce a novel class of localized atomic environment representations, based upon the Coulomb matrix. By combining these functions with the Gaussian approximation potential approach, we present LC-GAP, a new system ...