Benjamin Xu Shi | The ICE Group

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Publications

Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT

BX Shi, RJ Nicholls, JR Yates

(2022)

(link to publication)

General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.

BX Shi, V Kapil, A Zen, J Chen, A Alavi, A Michaelides

– The Journal of chemical physics

(2022)

156,

124704

(doi: 10.1063/5.0087031)