Since last year we have developed several tools for simulating the complexity of electrocatalysis at interfaces between electrodes and electrolytes. The MOFBuilder class in VeloxChem was recently accepted in npj Computational Materials and will allow for high throughput simulations of metal organic frameworks (MOFs) under electrocatalytic conditions. We have also submitted the transition state finder which facilitates reaction modeling and we want to test its ability to generate all relevant conformations for key reaction steps. This will involve large amounts of computations. Fortunately, we will in the coming weeks have access to the VeloxChem with the cuEST library from NVIDIA which will allow for a significant portion of the electronic structure computations to be performed on GPU nodes. For the molecular dynamics simulations we plan to set up simulations with a systematic variation of catalytic metals, cations, anions additives and different electric field strengths. All these can be run on both NVIDIA nodes and AMD nodes, and we therefore will apply for both. AMD for MD and NVIDIA for the DFT.