84 citations · 151 across the 3 of their papers we have counts for
3 papers
Local Volume Effects in the Generalized Pseudopotential Theory
Guy C. G. Skinner, John A. Moriarty, Anthony T. Paxton
The generalized pseudopotential theory (GPT) is a powerful method for deriving real-space transferable interatomic potentials. Using a coarse-grained electronic structure, one can…
Total-energy-based prediction of a quasicrystal structure
M. Mihalkovič, I. Al-Lehyani, E. Cockayne +5
Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quant…
Transition-metal interactions in aluminum-rich intermetallics
Ibrahim Al-Lehyani, Mike Widom, Yang Wang +3
The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient cal…