activity
20232025
most citedQuantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

85 citations · 101 across the 6 of their papers we have counts for

collaborators

6 papers

quant-ph2025

Hardware Efficient Quantum Kernels Using Multimode Bulk Acoustic Resonators

Collin C. D. Frink, Chaoyang Ti, Stephen K. Gray +2

The kernel trick is a widely applicable technique in machine learning domains that maps datasets that are difficult to classify into a computationally friendly feature space. As th…

quant-ph2025★ 15 cited

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…

quant-ph2025

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…

cs.ET2024

QREChem: Quantum Resource Estimation Software for Chemistry Applications

Matthew Otten, Byeol Kang, Dmitry Fedorov +4

As quantum hardware continues to improve, more and more application scientists have entered the field of quantum computing. However, even with the rapid improvements in the last fe…

quant-ph2024★ 1 cited

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…

quant-ph2023★ 85 cited

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…