BenchQC: A Benchmarking Toolkit for Quantum Computation.

ABSTRACT: The Variational Quantum Eigensolver (VQE) is a widely studied hybrid classical-quantum algorithm for approximating ground-state energies in molecular and materials systems. This study benchmarks the performance of the VQE for calculating ground-state energies of small aluminum clusters ( Al-$$ {\mathrm{Al}}^{-} $$ , Al2$$ {\mathrm{Al}}_2 $$ , and Al3-$$ {\mathrm{Al}}_3^{-} $$ ) within a quantum-density functional theory (DFT) embedding framework, systematically varying key parameters: (I) classical optimizers, (II) circuit types, (III) number of repetitions, (IV) simulator types, (V) basis sets, and (VI) noise models. All calculations were performed using quantum simulators to evaluate VQE performance under both idealized and noise-augmented conditions. Our findings demonstrate that certai

SUBMITTER: Pollard N 

PROVIDER: S-EPMC12614196 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature