781 citations · 810 across the 12 of their papers we have counts for
3 papers · 1 filter
Kink-Helium Interactions in Tungsten: Increased Dislocation Mobility in the Infinitely Dilute Regime
Matthew Nutter, James R. Kermode, Albert P. Bartók
Point defects such as interstitial atoms are known to be attracted to screw dislocations. Understanding these interaction mechanisms is key to predicting the plasticity of real mat…
Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations
Pavel Stishenko, Adam McSloy, Berk Onat +4
Modern software engineering of electronic structure codes has seen a paradigm shift from monolithic workflows towards object-based modularity. Software objectivity allows for great…
Uncertainty Quantification in Atomistic Simulations of Silicon using Interatomic Potentials
I. R. Best, T. J. Sullivan, J. R. Kermode
Atomistic simulations often rely on interatomic potentials to access greater time- and length- scales than those accessible to first principles methods such as density functional t…