Minimal building blocks for molecular quantum circuits with exact spin symmetry

arXiv:2609.37101 · quant-ph, physics.chem-ph · Submitted 2026-09-29 · Read on arXiv

quant-ph, physics.chem-ph

Submitted: 2026-09-29

Updated: 2026-09-29

Comments: 72 pages, 7 figures; includes 25 pages of Supplementary Information. Data and code: https://doi.org/10.5281/zenodo.22230014

License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/

Terminology

• Benchmark — 14× in this paper · explained in 2 episodes
• Quantum Circuits — 12× in this paper · explained in 2 episodes
• Accuracy — 9× in this paper · explained in 1 episode
• Core — 9× in this paper · explained in 2 episodes
• Fidelity — 9× in this paper · explained in 2 episodes
• Ablation — 6× in this paper · explained in 1 episode
• Verification — 6× in this paper · explained in 2 episodes
• Formal Verification — 5× in this paper · explained in 2 episodes
• Redundancy — 5× in this paper · explained in 2 episodes
• All-to-All Connectivity — 3× in this paper · explained in 1 episode
• Quantization — 3× in this paper · explained in 12 episodes
• Adaptive Algorithm — 2× in this paper · explained in 1 episode
• Alignment — 2× in this paper · explained in 1 episode
• Local Optimization — 2× in this paper · explained in 2 episodes
• Provenance — 2× in this paper · explained in 3 episodes
• Robustness — 2× in this paper · explained in 5 episodes
• Graph Construction — 1× in this paper · explained in 3 episodes
• Regularization — 1× in this paper · explained in 3 episodes

Sources

• Spin-Adapted Fermionic Unitaries: From Lie Algebras to Compact Quantum Circuits
• Universality of Quantum Gates in Particle and Symmetry Constrained Subspaces
• Quantum computing with Qiskit
• An Optimized Construction of Lie Algebra Generator Pools for Variational Quantum Eigensolvers in Chemistry

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