Predictions of superconducting properties from chemical bonding interactions
Abstract
The need for rapid estimates of superconducting critical temperatures, Tc s, is becoming increasingly urgent as first-principles and artificial intelligence based methods enable the exploration of ever-larger and more chemically complex materials spaces. In this context, chemical bonding based quantities have emerged as promising descriptors for predicting superconductivity. To date, these approaches have mainly been developed for hydride superconductors, notably through the networking value, a descriptor based upon the electron localization function, whose topological properties have been found to correlate with Tc . In this perspective, we review and consolidate the method's theory, and we discuss how the estimate of the Tc is achievable within a real-space view. We conclude by proposing a framework that enables Tc prediction for the broad family of conventional superconductors from easily computable intermediate physical quantities.
Related
- On the description of chemical bonding using the electrostatic potential. I. Theoretical introduction and covalent interactions
- Accurate gap control of 3D-integrated superconducting quantum circuits using asymmetric indium architecture and multi-angle flip-chip bonding
- Chemical bonding concepts emerge naturally from maximally entangled atomic orbitals
- Corridor Bonding Theory: A QTAIM-Based Density-Informed Graph Language for Teaching and Interpreting Chemical Structure
- Electron Correlation in Chemical Bonding: From Dispersion to Covalent Stabilization in Prototype Diatomic Systems.
BibTeX
@misc{belli2026predictions,
title = {{Predictions of superconducting properties from chemical bonding interactions}},
author = {Francesco Belli and Trinidad Novoa and Ion Errea and Eva Zurek},
howpublished = {arXiv},
year = {2026},
month = nov,
doi = {10.48550/arxiv.2611.05784},
eprint = {2611.05784},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2611.05784},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Predictions of superconducting properties from chemical bonding interactions
AU - Francesco Belli
AU - Trinidad Novoa
AU - Ion Errea
AU - Eva Zurek
PY - 2026
DA - 2026/11/04
PB - arXiv
DO - 10.48550/arxiv.2611.05784
UR - https://arxiv.org/abs/2611.05784
AB - The need for rapid estimates of superconducting critical temperatures, Tc s, is becoming increasingly urgent as first-principles and artificial intelligence based methods enable the exploration of ever-larger and more chemically complex materials spaces. In this context, chemical bonding based quantities have emerged as promising descriptors for predicting superconductivity. To date, these approaches have mainly been developed for hydride superconductors, notably through the networking value, a descriptor based upon the electron localization function, whose topological properties have been found to correlate with Tc . In this perspective, we review and consolidate the method's theory, and we discuss how the estimate of the Tc is achievable within a real-space view. We conclude by proposing a framework that enables Tc prediction for the broad family of conventional superconductors from easily computable intermediate physical quantities.
ER -