Benjamin Xu Shi

Research Assisstant

See more information here.

Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters

BX Shi, DJ Wales, A Michaelides, CW Myung

(2023)

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

BX Shi, RJ Nicholls, JR Yates

Physical Review B

(2023)

108

115112

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

BX Shi, RJ Nicholls, JR Yates

(2022)

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