Publications (6)
Performance Model for Hybrid Quantum-Classical Workflows
Pooja Rao, Dimitar Trenev, Jerome Gonthier +13
Hybrid quantum-classical workflows are expected to underpin practical quantum computing applications, yet the quantum and HPC communities lack a shared framework for reasoning abou…
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
Adiabatic state preparation from general initial states
Bryce Fuller, Mario Motta, Stuart M. Harwood +4
A variety of quantum computing algorithms exist for the preparation of approximate Hamiltonian ground states. A natural and important question is how these ground-state approximati…
Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis
Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood +4
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with…
Improving the variational quantum eigensolver using variational adiabatic quantum computing
Stuart M. Harwood, Dimitar Trenev, Spencer T. Stober +4
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameteri…
Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work-flows
Spencer T. Stober, Stuart M. Harwood, Donny Greenberg +3
Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at f…