Pinned Loading

1. Data_CO_on_MgO Data_CO_on_MgO Public

   Data supporting paper on "Many-body methods for surface chemistry come of age: Achieving consensus with experiments"

   Roff

2. Data_Embedded_Cluster_Protocol Data_Embedded_Cluster_Protocol Public

   Data supporting paper on "General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides"

   Jupyter Notebook 2

3. Data_XRD_Structure_Factor Data_XRD_Structure_Factor Public

   Data supporting paper on "Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT"

   Jupyter Notebook

4. SKZCAM-Protocol SKZCAM-Protocol Public

   Scripts to implement the SKZCAM protocol for systematically generating quantum clusters of increasing size in the electrostatic embedded cluster approach

   Jupyter Notebook 1 1