15 citations · 62 across the 12 of their papers we have counts for
12 papers
Quantum-Accelerated Self-Consistent Field: A Hybrid Algorithm
Alexis Ralli, Tim Weaving, Thomas M. Bickley +2
We present the Grover adaptive search self-consistent field (GAS-SCF) algorithm. GAS-SCF leverages quantum arithmetic to construct an efficient oracle that marks target states (Foc…
Towards Compact Wavefunctions from Quantum-Selected Configuration Interaction
Tim Weaving, Angus Mingare, Alexis Ralli +1
A recent direction in quantum computing for molecular electronic structure sees the use of quantum devices as configuration sampling machines integrated within high-performance com…
Noncontextual Pauli Hamiltonians
Alexis Ralli, Tim Weaving, Peter J. Love
Contextuality is a key feature of quantum mechanics, and identification of noncontextual subtheories of quantum mechanics is of both fundamental and practical importance. Recently,…
Simulating the Antiferromagnetic Heisenberg Model on a Spin-Frustrated Kagome Lattice with the Contextual Subspace Variational Quantum Eigensolver
Tim Weaving, Alexis Ralli, Vinul Wimalaweera +2
In this work we investigate the ground state properties of a candidate quantum spin liquid using a superconducting Noisy Intermediate-Scale Quantum (NISQ) device. Specifically, we…
Bridging Quantum Chemistry and MaxCut: Classical Performance Guarantees and Quantum Algorithms for the Hartree-Fock Method
Alexis Ralli, Tim Weaving, Peter V. Coveney +1
In quantum chemistry, self-consistent field (SCF) algorithms define a nonlinear optimization problem, with both continuous and discrete components. In this work, we derive Hartree-…
Extending Quantum Computing through Subspace, Embedding and Classical Molecular Dynamics Techniques
Thomas M. Bickley, Angus Mingare, Tim Weaving +10
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm desig…
Accurately Simulating the Time Evolution of an Ising Model with Echo Verified Clifford Data Regression on a Superconducting Quantum Computer
Tim Weaving, Alexis Ralli, Peter J. Love +2
We present an error mitigation strategy composed of Echo Verification (EV) and Clifford Data Regression (CDR), the combination of which allows one to learn the effect of the quantu…
Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer
Tim Weaving, Alexis Ralli, Peter J. Love +2
In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the…
Benchmarking Noisy Intermediate Scale Quantum Error Mitigation Strategies for Ground State Preparation of the HCl Molecule
Tim Weaving, Alexis Ralli, William M. Kirby +3
Due to numerous limitations including restrictive qubit topologies, short coherence times and prohibitively high noise floors, few quantum chemistry experiments performed on existi…
Unitary Partitioning and the Contextual Subspace Variational Quantum Eigensolver
Alexis Ralli, Tim Weaving, Andrew Tranter +3
The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It…
Controlling quantum effects in enhanced strong-field ionisation with machine-learning techniques
Heloise Chomet, Samuel Plesnik, Constantin Nicolae +4
We study non-classical pathways and quantum interference in enhanced ionisation of diatomic molecules in strong laser fields using machine learning techniques. Quantum interference…
A stabilizer framework for Contextual Subspace VQE and the noncontextual projection ansatz
Tim Weaving, Alexis Ralli, William M. Kirby +3
Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to p…