Topological Chemistry and the Emergence of the Covalent Bond via Graph Annealing in QGEFT

The current Paper 34 benchmark does not claim that full continuum molecular chemistry has already been derived on a graph. It does show that a minimal annealed QGEFT diatomic surrogate can generate the defining geometry of a covalent potential curve in one reproducible run: a mild approach barrier, a locked minimum at topological distance `1.0` with total energy `9.5200`, and a sharp short-range exclusion wall that raises the energy to `14.9835` at `d = 0.8` and `52.0309` at `d = 0.6`. The corresponding binding depth relative to the isolated baseline is `2.1559`.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-05-18
DOI
https://doi.org/10.5281/zenodo.20267505
Primary Topic
Graph theory and applications
Type
preprint
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preprint

Topological Chemistry and the Emergence of the Covalent Bond via Graph Annealing in QGEFT

Yaniv Cohen
Zenodo (CERN European Organization for Nuclear Research)
Graph theory and applications
preprint

Topological Chemistry and the Emergence of the Covalent Bond via Graph Annealing in QGEFT

Yaniv Cohen
preprint en

Abstract

The current Paper 34 benchmark does not claim that full continuum molecular chemistry has already been derived on a graph. It does show that a minimal annealed QGEFT diatomic surrogate can generate the defining geometry of a covalent potential curve in one reproducible run: a mild approach barrier, a locked minimum at topological distance `1.0` with total energy `9.5200`, and a sharp short-range exclusion wall that raises the energy to `14.9835` at `d = 0.8` and `52.0309` at `d = 0.6`. The corresponding binding depth relative to the isolated baseline is `2.1559`.

Zenodo (CERN European Organization for Nuclear Research)
Affordable and clean energy
Graph theory and applications
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Topological Chemistry and the Emergence of the Covalent Bond via Graph Annealing in QGEFT — Yaniv Cohen · Zenodo (CERN European Organization for Nuclear Research) (2026) | TGRS Research Map | TGRS