828 citations · 3.2k across the 31 of their papers we have counts for
3 papers · 1 filter
Coarse-graining Kohn-Sham Density Functional Theory
Phanish Suryanarayana, Kaushik Bhattacharya, Michael Ortiz
We present a real-space formulation for coarse-graining Kohn-Sham Density Functional Theory that significantly speeds up the analysis of material defects without appreciable loss o…
The Optimal Uncertainty Algorithm in the Mystic Framework
M. McKerns, H. Owhadi, C. Scovel +2
We have recently proposed a rigorous framework for Uncertainty Quantification (UQ) in which UQ objectives and assumption/information set are brought into the forefront, providing a…
Optimal uncertainty quantification for legacy data observations of Lipschitz functions
T. J. Sullivan, M. McKerns, D. Meyer +3
We consider the problem of providing optimal uncertainty quantification (UQ) --- and hence rigorous certification --- for partially-observed functions. We present a UQ framework wi…