Search Results - "Birnie, April"

Defect formation energies in A2B2O7 pyrochlores by Li, Yan, Kowalski, Piotr M., Beridze, George, Birnie, April R., Finkeldei, Sarah, Bosbach, Dirk

“…[Display omitted] We performed ab initio calculations of the cation antisite and anion Frenkel pair defect formation energies for a series of pyrochlores. The…”
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Defect formation energies in A 2 B 2 O 7 pyrochlores by Li, Yan, Kowalski, Piotr M., Beridze, George, Birnie, April R., Finkeldei, Sarah, Bosbach, Dirk

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DFT + U as a reliable method for efficient ab initio calculations of nuclear materials by Beridze, George, Birnie, April, Koniski, Sarah, Ji, Yaqi, Kowalski, Piotr M.

“…Density functional theory (DFT)-based ab initio methods become standard research tools in various research fields, including nuclear materials science…”
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