4 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…
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…
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…