4 papers · 1 filter
A Monte Carlo approach to bound Trotter error
Nick S. Blunt, Aleksei V. Ivanov, Andreas Juul Bay-Smidt
Trotter product formulas are a natural and powerful approach to perform quantum simulation. However, the error analysis of product formulas is challenging, and their cost is often…
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…
Pauli Decomposition via the Fast Walsh-Hadamard Transform
Timothy N. Georges, Bjorn K. Berntson, Christoph Sünderhauf +1
The decomposition of a square matrix into a sum of Pauli strings is a classical pre-processing step required to realize many quantum algorithms. Such a decomposition requires signi…
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…