190 citations · 281 across the 7 of their papers we have counts for
3 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…
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…