806 citations · 4.3k across the 83 of their papers we have counts for
85 papers
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…
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…
A Scalable Approach to Quantum Simulation via Projection-based Embedding
Alexis Ralli, Michael I. Williams, Peter V. Coveney
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tight…
Development and performance of a HemeLB GPU code for human-scale blood flow simulation
I. Zacharoudiou, J. W. S. McCullough, P. V. Coveney
In recent years, it has become increasingly common for high performance computers (HPC) to possess some level of heterogeneous architecture - typically in the form of GPU accelerat…
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers
Agastya P. Bhati, Shunzhou Wan, Dario Alfè +26
The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottle…