Quantum computational quantification of protein–ligand interactions JJM Kirsopp, C Di Paola, DZ Manrique, M Krompiec, G Greene‐Diniz, ... International Journal of Quantum Chemistry 122 (22), e26975, 2022 | 40 | 2022 |
Magnetic Shielding Studies of C2 and C2H2 Support Higher than Triple Bond Multiplicity in C2 PB Karadakov, J Kirsopp Chemistry–A European Journal 23 (52), 12949-12954, 2017 | 22 | 2017 |
Chemically aware unitary coupled cluster with ab initio calculations on an ion trap quantum computer: A refrigerant chemicals’ application IT Khan, M Tudorovskaya, JJM Kirsopp, D Muñoz Ramo, P Warrier, ... The Journal of Chemical Physics 158 (21), 2023 | 8 | 2023 |
Chemically aware unitary coupled cluster with ab initio calculations on system model h1: A refrigerant chemicals application IT Khan, M Tudorovskaya, JJM Kirsopp, DM Ramo, PW Warrier, ... arXiv preprint arXiv:2210.14834, 2022 | 4 | 2022 |
Quantum computational quantification of protein-ligand interactions (Retraction of Vol 122, art no E26975, 2022) JJM Kirsopp, C Di Paola, DZ Manrique, M Krompiec, G Greene-Diniz, ... INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 124 (1), 2024 | | 2024 |
Hybrid quantum-classical computing system for simulation of chemical systems using a chemically aware state-preparation strategy I Khan, J Kirsopp US Patent App. 18/048,147, 2023 | | 2023 |
Quantum Computational Quantification of Protein-Ligand Interactions C Di Paola, J Kirsopp, D Zsolt Manrique, M Krompiec, G Greene-Diniz, ... APS March Meeting Abstracts 2022, B01. 002, 2022 | | 2022 |
First principles conceptual models of chemical reactivity: Quantitative curly arrows and frontier orbitals J Kirsopp Cardiff University, 2020 | | 2020 |
A Quantum Chemical Study of Grignard Reagent Formation and the Chemical Bond in dicarbon. J Kirsopp University of York, 2016 | | 2016 |