most citedUncertainty Quantification for Materials Properties in Density Functional Theory with k-Point Density

1 citations · 1 across the 2 of their papers we have counts for

collaborators

2 papers

physics.comp-ph2020

Uncertainty Quantification in Atomistic Modeling of Metals and its Effect on Mesoscale and Continuum Modeling A Review

Joshua J. Gabriel, Noah H. Paulson, Thien C. Duong +4

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic…

cond-mat.mtrl-sci2020★ 1 cited

Uncertainty Quantification for Materials Properties in Density Functional Theory with k-Point Density

Joshua J. Gabriel, Faical Yannick C. Congo, Alexander Sinnott +4

Many computational databases emerged over the last five years that report material properties calculated with density functional theory. The properties in these databases are commo…