3 papers
quant-ph2025
Moments-based quantum computation of the electric dipole moment of molecular systems
Michael A. Jones, Harish J. Vallury, Manolo C. Per +2
With rapid progress being made in the development of platforms for quantum computation, there has been considerable interest in whether present-day and near-term devices can be use…
physics.comp-ph2025
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30
Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mol…
quant-ph2025
Chemically-Accurate Prediction of the Ionisation Potential of Helium Using a Quantum Processor
Manolo C. Per, Nathan Rhodes, Maiyuren Srikumar +1
Quantum computers have the potential to revolutionise our understanding of the microscopic behaviour of materials and chemical processes by enabling high-accuracy electronic struct…