25 citations · 42 across the 5 of their papers we have counts for
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quant-ph2026★ 1 cited
Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
Kenneth M. Merz, Akhil Shajan, Danil Kaliakin +21
We develop a workflow decomposing a molecule into fragments via quantum embedding and simulating them with a heterogeneous quantum-classical (HQC) method. We sample fragment electr…
cs.DC2026
GPU-Accelerated Selected Basis Diagonalization with Thrust for SQD-based Algorithms
Jun Doi, Tomonori Shirakawa, Yukio Kawashima +2
Selected Basis Diagonalization (SBD) plays a central role in Sample-based Quantum Diagonalization (SQD), where iterative diagonalization of the Hamiltonian in selected configuratio…