Discovery of interpretable <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>T</mml:mi> <mml:mi>c</mml:mi> </mml:msub> </mml:math> descriptors in conventional superconductors guided by symbolic regression

A century after the discovery of superconductivity, the search for new superconductors still relies largely on trial and error, challenging researchers to identify the universal design principles that govern why certain materials superconduct at higher temperatures. Here, the authors introduce an interpretable, data-driven approach that pairs Random Forest screening with SISSO symbolic regression to reveal fundamental ``material genes'' governing Tc in conventional BCS superconductors. Unlike black-box predictors, this study reveals physically meaningful relationships that provide actionable guideline for high Tc: a near half-filled d-orbital per atom combined with moderate heterogeneity in unfilled orbitals.

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Publication Details

Journal
Physical Review Materials
Published
2026-05-22
DOI
https://doi.org/10.1103/4pxk-z8ww
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00

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article

Discovery of interpretable <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>T</mml:mi> <mml:mi>c</mml:mi> </mml:msub> </mml:math> descriptors in conventional superconductors guided by symbolic regression

Jinbo Pan, Shixuan Du, Fang Han Lim
Physical Review Materials
Machine Learning in Materials Science
article

Discovery of interpretable <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>T</mml:mi> <mml:mi>c</mml:mi> </mml:msub> </mml:math> descriptors in conventional superconductors guided by symbolic regression

Jinbo Pan, Shixuan Du, Fang Han Lim
article en

Abstract

A century after the discovery of superconductivity, the search for new superconductors still relies largely on trial and error, challenging researchers to identify the universal design principles that govern why certain materials superconduct at higher temperatures. Here, the authors introduce an interpretable, data-driven approach that pairs Random Forest screening with SISSO symbolic regression to reveal fundamental ``material genes'' governing Tc in conventional BCS superconductors. Unlike black-box predictors, this study reveals physically meaningful relationships that provide actionable guideline for high Tc: a near half-filled d-orbital per atom combined with moderate heterogeneity in unfilled orbitals.

Physical Review MaterialsVol. 10(5)
Chinese Academy of Sciences (CN), FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ), University of Chinese Academy of Sciences (CN)
National Natural Science Foundation of China, Chinese Academy of Sciences, National Key Research and Development Program of China
Openalex Percentile: Top 11%
Machine Learning in Materials Science
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