18 citations · 20 across the 4 of their papers we have counts for
4 papers
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…
Platinum-based Catalysts for Oxygen Reduction Reaction simulated with a Quantum Computer
Cono Di Paola, Evgeny Plekhanov, Michal Krompiec +7
Hydrogen has emerged as a promising energy source, holding the key to achieve low-carbon and sustainable mobility. However, its applications are still limited by modest conversion…
Non-unitary Trotter circuits for imaginary time evolution
Chiara Leadbeater, Nathan Fitzpatrick, David Muñoz Ramo +1
We propose an imaginary time equivalent of the well-established Pauli gadget primitive for Trotter-decomposed real time evolution, using mid-circuit measurements on a single ancill…
Modelling Carbon Capture on Metal-Organic Frameworks with Quantum Computing
Gabriel Greene-Diniz, David Zsolt Manrique, Wassil Sennane +7
Despite the recent progress in quantum computational algorithms for chemistry, there is a dearth of quantum computational simulations focused on material science applications, espe…