5 papers · 1 filter
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…
A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits
Yuri Alexeev, Victor S. Batista, Nicholas Bauman +27
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owin…
Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
Qiaohong Wang, Ruhee D'Cunha, Abhishek Mitra +4
Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate-term qua…
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…
The Localized Active Space Method with Unitary Selective Coupled Cluster
Abhishek Mitra, Ruhee D'Cunha, Qiaohong Wang +5
We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized…