548 citations
- University of SheffieldGB14 papers
- University College LondonGB5 papers
- University of CambridgeGB4 papers
- ARC Centre of Excellence for Engineered Quantum SystemsAU3 papers
- California Institute of TechnologyUS3 papers
- Delft University of TechnologyNL3 papers
- University of OxfordGB3 papers
- Amazon (United States)US2 papers
- Cambridge Quantum Computing (United Kingdom)GB2 papers
- Columbia UniversityUS2 papers
- Harvard UniversityUS2 papers
- Joint Center for Quantum Information and Computer ScienceUS2 papers
5 papers · 1 filter
The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
Vincent Graves, Christoph Sünderhauf, Nick S. Blunt +2
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of mol…
Measuring Electron Correlation. The Impact of Symmetry and Orbital Transformations
Róbert Izsák, Aleksei V Ivanov, Nick S. Blunt +2
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We the…
Is there evidence for exponential quantum advantage in quantum chemistry?
Seunghoon Lee, Joonho Lee, Huanchen Zhai +15
The idea to use quantum mechanical devices to simulate other quantum systems is commonly ascribed to Feynman. Since the original suggestion, concrete proposals have appeared for si…
A perspective on the current state-of-the-art of quantum computing for drug discovery applications
Nick S. Blunt, Joan Camps, Ophelia Crawford +9
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational cap…
Quantum Computing in Pharma: A Multilayer Embedding Approach for Near Future Applications
Robert Izsak, Christoph Riplinger, Nick S. Blunt +6
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treati…