Christopher J. Bartel

activity

20182023

most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations · 3.5k across the 17 of their papers we have counts for

collaborators

Showing 2022Show all

2 papers · 1 filter

cond-mat.mtrl-sci2022★ 4 cited

Testing the r $^{2}$ SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction

Manish Kothakonda, Aaron D. Kaplan, Eric B. Isaacs +6

A central aim of materials discovery is an accurate and numerically reliable description of thermodynamic properties, such as the enthalpies of formation and decomposition. The r$^…

cond-mat.mtrl-sci2022★ 79 cited

Machine-learning rationalization and prediction of solid-state synthesis conditions

Haoyan Huo, Christopher J. Bartel, Tanjin He +5

There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materia…

Testing the r2SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction

Machine-learning rationalization and prediction of solid-state synthesis conditions

Testing the r $^{2}$ SCAN density functional for the thermodynamic stability of solids with and without a van der Waals correction