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Publications
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments
– J Am Chem Soc
(2023)
145,
25372
(doi: 10.1021/jacs.3c09616)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in
Oxide-Supported Nanoclusters
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
– Physical Review B
(2023)
108,
115112
(doi: 10.1103/PhysRevB.108.115112)
Accurate and efficient structure factors in ultrasoft pseudopotential
and projector augmented wave DFT
(2022)
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.
– The Journal of Chemical Physics
(2022)
156,
124704
(doi: 10.1063/5.0087031)