121 citations · 122 across the 3 of their papers we have counts for
3 papers
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…
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…
MPInterfaces: A Materials Project based Python Tool for High-Throughput Computational Screening of Interfacial Systems
Kiran Mathew, Arunima K. Singh, Joshua J. Gabriel +5
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The fr…