Artifact Data for "A GPU-Accelerated and Geometry-Aware Quantum-Classical Framework for Optimized PES Scans with CUDA-Q" (SC26 Submission)
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This record contains the archived artifact data bundle supporting the SC26 submission on Cached VQE / OptiPESS. The archive provides the serial experiment-style artifact exports for the full molecule set used in the study. For each molecule and scanned geometry, the bundle includes fixed Cartesian geometries, raw qubit Hamiltonian Pauli labels and coefficients, aligned coefficient matrices, Pauli-class assignments, LOV class weights, adjacent LOV/Frobenius/Hilbert-Schmidt distance data, per-geometry budget plans, and machine-readable manifests. The record is intended to support transparency, inspection, and reproduction of the planning and data-generation stages reported in the paper. A top-level README and artifact manifest are included in the archive, and SHA256 checksums are provided for integrity verification.



