64 citations · 64 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023
Quantum hardware calculations of the activation and dissociation of nitrogen on iron clusters and surfaces
Georgia Christopoulou, Cono Di Paola, Floris Eelke Elzinga +3
Catalytic processes are vital in the chemical industry, with nitrogen-to-ammonia conversion being a major industrial process. Designing catalysts relies on computational chemistry…
quant-ph2021★ 64 cited
Quantum Computational Quantification of Protein-Ligand Interactions
Josh John Mellor Kirsopp, Cono Di Paola, David Zsolt Manrique +7
We have demonstrated a prototypical hybrid classical and quantum computational workflow for the quantification of protein-ligand interactions. The workflow combines the Density Mat…