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.
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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].
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.
A survey of nine QHPC stacks identifies common patterns and proposes the openQSE reference architecture to unify interfaces for interoperability in quantum-HPC environments.
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.
A QDMI-based adapter for IQM quantum hardware enables reusable integration with Slurm and Qiskit in HPC centers, with open-source code provided.
citing papers explorer
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Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes
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.
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Cluster-Adaptive Sample-Based Quantum Diagonalization for Strongly Correlated Systems
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].
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Generative Circuit Design for Quantum-Selected Configuration Interaction
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.
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Quantum-HPC Software Stacks and the openQSE Reference Architecture: A Survey
A survey of nine QHPC stacks identifies common patterns and proposes the openQSE reference architecture to unify interfaces for interoperability in quantum-HPC environments.
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Hybrid Quantum-HPC Middleware Systems for Adaptive Resource, Workload and Task Management
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.
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Practical HPCQC Integration with QDMI: A Real-Hardware Case Study with IQM Systems
A QDMI-based adapter for IQM quantum hardware enables reusable integration with Slurm and Qiskit in HPC centers, with open-source code provided.