Volume VIII: Molecular Case Studies: Resource and Entanglement Analysis for Battery Electrolyte and Iron–Sulfur Systems

Abstract

This eighth volume performs an end-to-end resource and entanglement analysis for two concrete molecular systems that illustrate the residual-risk indicators of Volume VI. The first is the vinylene-carbonate + singlet-oxygen reaction path relevant to lithium-ion battery electrolytes, for which orbital von Neumann entropies were reconstructed on the Quantinuum H1-1 trapped-ion processor in 2025. The second is iron–sulfur clusters (including the FeMo-cofactor of nitrogenase), where entanglement-minimised orbitals have been shown to improve initial-state overlaps for quantum phase estimation by orders of magnitude. For each system the binding memory, interconnect and control specifications are identified, and the additional overhead imposed by fermionic superselection rules is quantified. The analysis demonstrates which of the readiness thresholds remain unmet and how modular cryogenic and cryo-CMOS advances would close them.