Kristin A. Persson

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Posted on September 15, 2022 | Kingsbury Research Group

Performance comparison of r2SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow

Posted on September 7, 2022 | Kingsbury Research Group

Zinc titanium nitride semiconductor toward durable photoelectrochemical applications

Posted on July 1, 2022 | Kingsbury Research Group

Aqueous Stability of Zirconium Clusters, Including the Zr(IV) Hexanuclear Hydrolysis Complex [Zr6O4(OH)4(H2O)24]12+, from Density Functional Theory

Posted on October 7, 2021 | Kingsbury Research Group

A framework for quantifying uncertainty in DFT energy corrections

Posted on July 29, 2021 | Kingsbury Research Group