Sean D. Griesemer

most citedPhase Stability of Lead Phosphate Apatite Pb

_{10 - x}

_{x}

(PO

_{4}

)

_{6}

O, Pb

_{10 - x}

_{x}

(PO

_{4}

)

_{6}

(OH)

_{2}

, and Pb

_{8}

_{2}

(PO

_{4}

)

_{6}

14 citations · 30 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2025★ 10 cited

AFLOW4: heading toward disorder

Simon Divilov, Hagen Eckert, Scott D. Thiel +10

AFLOW4 is the latest iteration of the AFLOW toolkit, specifically tailored to study high-entropy disordered materials. This upgrade includes innovative features like the Soliquidy…

cond-mat.mtrl-sci2025

Variable-Temperature Plasmonic High-Entropy Carbides

Simon Divilov, Sean D. Griesemer, Robert C. Koennecker +9

Effective thermal management at variable and extreme temperatures face limitations for the development of novel energy and aerospace applications. Plasmonic approaches, shown to be…

cond-mat.mtrl-sci2025★ 3 cited

Soliquidy: a descriptor for atomic geometrical confusion

Hagen Eckert, Sebastian A. Kube, Simon Divilov +10

Tailoring material properties often requires understanding the solidification process. Herein, we introduce the geometric descriptor Soliquidy, which numerically captures the Eucli…

cond-mat.mtrl-sci2023★ 3 cited

Oxygen Vacancy Formation Energy in Metal Oxides: High Throughput Computational Studies and Machine Learning Predictions

Bianca Baldassarri, Jiangang He, Abhijith Gopakumar +5

The oxygen vacancy formation energy ( $Δ E_{v f}$ ) governs defect dynamics and is a useful metric to perform materials selection for a variety of applications. However, density functi…

cond-mat.mtrl-sci2023★ 14 cited

Phase Stability of Lead Phosphate Apatite Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ O, Pb $_{10 - x}$ Cu $_{x}$ (PO $_{4}$ ) $_{6}$ (OH) $_{2}$ , and Pb $_{8}$ Cu $_{2}$ (PO $_{4}$ ) $_{6}$

Jiahong Shen, Dale Gaines, Shima Shahabfar +8

Recently, Cu-substituted lead apatite LK-99 was reported to have room-temperature ambient-pressure superconductivity. Here we utilize density functional theory (DFT) total energy a…