9 citations · 11 across the 4 of their papers we have counts for
4 papers
Simulation of Atomic Layer Deposition with a Quantum Computer
Evgeny Plekhanov, Georgia Prokopiou, Michal Krompiec +4
In this work, we present the study of an atomic layer deposition (ALD) of zirconium by means of a quantum computation on an emulator representing the features of an architecture ba…
Measuring Correlation and Entanglement between Molecular Orbitals on a Trapped-Ion Quantum Computer
Gabriel Greene-Diniz, Chris N. Self, Michal Krompiec +4
Quantifying correlation and entanglement between molecular orbitals can elucidate the role of quantum effects in strongly correlated reaction processes. However, accurately storing…
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…
Quantum Computed Green's Functions using a Cumulant Expansion of the Lanczos Method
Gabriel Greene-Diniz, David Zsolt Manrique, Kentaro Yamamoto +5
In this paper, we present a quantum computational method to calculate the many-body Green's function matrix in a spin orbital basis. We apply our approach to finite-sized fermionic…