6 citations · 10 across the 3 of their papers we have counts for
6 papers · 1 filter
Quantum resources in resource management systems
Utz Bacher, Mark Birmingham, Christopher D. Carothers +14
Quantum computing resources are increasingly being incorporated into high-performance computing (HPC) environments as co-processors for hybrid workloads. To support this paradigm,…
Towards quantum-centric simulations of extended molecules: sample-based quantum diagonalization enhanced with density matrix embedding theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra +9
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum em…
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno +9
We present the first quantum-centric simulations of noncovalent interactions using a supramolecular approach. We simulate the potential energy surfaces (PES) of the water and metha…
Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer
Javier Robledo-Moreno, Mario Motta, Holger Haas +14
A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-…
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…
Machine Learning for Practical Quantum Error Mitigation
Haoran Liao, Derek S. Wang, Iskandar Sitdikov +3
Quantum computers progress toward outperforming classical supercomputers, but quantum errors remain their primary obstacle. The key to overcoming errors on near-term devices has em…