190 citations · 281 across the 7 of their papers we have counts for
7 papers
Fault-tolerant quantum simulation of generalized Hubbard models
Andreas Juul Bay-Smidt, Frederik Ravn Klausen, Christoph Sünderhauf +3
Quantum simulations of strongly interacting fermionic systems, such as those described by the Hubbard model, are promising candidates for useful early fault-tolerant quantum comput…
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
Aleksei V. Ivanov, Andrew Patterson, Marius Bothe +6
Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accura…
Quantum Simulations of Chemistry in First Quantization with any Basis Set
Timothy N. Georges, Marius Bothe, Christoph Sünderhauf +3
Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require developme…
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…
Statistical phase estimation and error mitigation on a superconducting quantum processor
Nick S. Blunt, Laura Caune, Róbert Izsák +2
Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quan…
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…