64 citations · 107 across the 4 of their papers we have counts for
4 papers
Quantum mechanics basis of quality control in hard metals
Ruiwen Xie, Raquel Lizárragaa, David Linder +6
Non-destructive and reliable quality control methods are a key aspect to designing, developing and manufacturing new materials for industrial applications and new technologies. The…
Disorder induced metallicity in amorphous graphene
E. Holmstrom, J. Fransson, O. Eriksson +3
We predict a transition to metallicity when a sufficient amount of disorder is induced in graphene. Calculations were performed by means of a first principles stochastic quench met…
Liquid state properties from first principles DFT calculations: Static properties
Nicolas Bock, Erik Holmstrom, Travis B. Peery +4
In order to test the Vibration-Transit (V-T) theory of liquid dynamics, ab initio density functional theory (DFT) calculations of thermodynamic properties of Na and Cu are performe…
An \emph{ab initio} method for locating characteristic potential energy minima of liquids
E. Holmstrom, N. Bock, Travis B. Peery +4
It is possible in principle to probe the many--atom potential surface using density functional theory (DFT). This will allow us to apply DFT to the Hamiltonian formulation of atomi…