April 22, 2024 preprint Open access Modelling Heterogeneous Catalysis using Quantum Computers: An academic and industry perspective ChemRxiv DOI: 10.26434/chemrxiv-2024-d2l1k Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 0 References 6 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Computational approaches to dissociative chemisorption on metals: towards chemical accuracy 2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 96 citations Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not 2020 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access 86 citations Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver 2022 Journal of Chemical Theory and Computation article Computer Science Quantum Computing Algorithms and Architecture Open access 42 citations Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors 2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 39 citations Investigation of Active Catalysts at Work 2021 Accounts of Chemical Research article Materials Science Catalytic Processes in Materials Science Open access 15 citations A hybrid quantum algorithm to detect conical intersections 2024 Quantum article Computer Science Quantum Computing Algorithms and Architecture Open access 11 citations 6 results