Screening catalysts with OCP

See the sections of this tutorial to the left to get started!

• Using OCP to enumerate adsorbates on alloy catalyst surfaces
• Introduction
• Enumerate the adsorbate-slab configurations to run relaxations on
• Run all the systems
• Parse the trajectories and post-process
• Make parity plots for values obtained by ML v. reported in the paper
• Make figure 6b and compare to literature results