Active-Space Quantum Simulation of N 2 Hydrogenation at a Ru Single-Atom Site on Ru(0001)

arXiv:2609.30958 · physics.chem-ph, quant-ph · Submitted 2026-09-25 · Read on arXiv

physics.chem-ph, quant-ph

Submitted: 2026-09-25

Updated: 2026-09-25

Terminology

• Core — 16× in this paper · explained in 2 episodes
• Accuracy — 4× in this paper · explained in 1 episode
• Benchmarking — 3× in this paper · explained in 3 episodes
• Regularization — 3× in this paper · explained in 3 episodes
• Ab Initio — 2× in this paper · explained in 1 episode
• DFT Calculations — 2× in this paper · explained in 2 episodes
• Adaptive Algorithm — 1× in this paper · explained in 1 episode
• All-to-All Connectivity — 1× in this paper · explained in 1 episode
• Calibration — 1× in this paper · explained in 7 episodes
• Fidelity — 1× in this paper · explained in 2 episodes
• Trace — 1× in this paper · explained in 2 episodes
• Verification — 1× in this paper · explained in 2 episodes

Sources

• PennyLane: Automatic differentiation of hybrid quantum-classical computations

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