Computational modeling shows that geodesic costs on a periodic table scalar field predict diatomic bond energies, indicating an intrinsic geometric structure governs chemical observables.
We construct a scalar configuration field Φ on the periodic table lattice from z -score-normalized first ionization energy and covalent radius, with a single coupling parameter λ fixed a priori . Geodesic costs computed on this field via Dijkstra’s algorithm predict experimental diatomic bond dissociation energies D₀ for 201 diatomics at Spearman ρ = -0.325 ( $$95%$$ CI: $$[-0.462,\,-0.180]$$ , p < 10⁻⁵ ), outperforming both Manhattan and Euclidean distance baselines without molecular orbital theory, fitted regression, or element-pair-specific parameters. On the sparser gradient-magnitude cost field, the correlation strengthens to ρ = -0.633 ( p < 10⁻⁷ , $$N = 60$$ ). The field’s curvature (second difference along atomic number) also correlates with Pearson–Parr chemical hardness at $$r = -0.830$$ ( $$95%$$ CI: $$[-0.947,\,-0.604]$$ , p < 10⁻⁹ , $$N = 35$$ ) and with atomic polarizability at $$r = -0.600$$ ( α -1/3 transform, 95% CI: $$[-0.858,\, -0.263]$$ , p = 1.3 × 10⁻⁹ , $$N = 85$$ ), a property that shares no input variable with the field. A 16-configuration ablation study confirms robustness across λ ∈ [0.5,\,2.0] , connectivity, and cost-field choices. We do not propose this framework as a competitor to quantum chemical calculations of bond energies; rather, we present it as evidence that the periodic table possesses intrinsic differential-geometric structure from which chemical observables can be recovered without reference to electronic wavefunctions.
No takes yet. Share an insight, caveat, or question.
Anderson M. Rodriguez (2026) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: