First heterogeneous quantum-classical computation on FLiBe clusters for tritium binding using EWF partitioning and ext-SQD on IBM hardware matches FCI fragment energies within 0.3 kcal/mol MAD but shows 12-110 kcal/mol errors in conformational and binding differences due to fragment construction.
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A heterogeneous quantum-classical method simulates protein-ligand complexes of 11,608 and 12,635 atoms with fragment energies matching coupled-cluster accuracy, achieving over 40 times larger systems and up to 210 times better accuracy than prior work.
CSQD improves SQD energy estimates in strongly correlated systems by replacing a global reference occupancy vector with cluster-specific ones, lowering energies by up to 15.95 mHa for stretched N2 and 57.82 mHa for [2Fe-2S].
Filter-assisted SQD uses a quantum filter to engineer sparser ground-state wavefunctions, yielding orders-of-magnitude lower energy errors and reduced sampling overhead versus standard SQD on the transverse-longitudinal Ising model.
A Transformer policy optimizes quantum circuit ansatzes for QSCI, yielding up to 98% reduction in two-qubit gates while reaching chemical accuracy on N2 and competitive compactness with classical methods.
Experimental demonstration of quantum collision models for Markovian dynamics on quantum hardware with up to 7 system qubits and 40 time steps, using hardware-specific ancilla strategies for local and nonlocal dissipation.
The authors present Pilot-Quantum, a middleware for adaptive resource management in hybrid quantum-HPC systems, along with execution motifs and a performance modeling toolkit called Q-Dreamer.
Noise in LUCJ sampling for QSCI on N2 expands the configuration space beyond the ideal ansatz and, when paired with recovery, produces more accurate CI energies than noiseless sampling.
A QDMI-based adapter for IQM quantum hardware enables reusable integration with Slurm and Qiskit in HPC centers, with open-source code provided.