Finding new superconducting materials traditionally took human chemists decades of slow trial-and-error laboratory cooking; graph neural networks screened millions of geometric crystal structures to predict and synthesize two brand-new star-patterned superconductors in weeks. Published in Physical Review Materials, this machine-learning discovery proves that AI can systematically unlock exotic quantum materials for lossless power grids and quantum computers.

Superconductors—materials that conduct electrical current with zero energy loss and levitate powerful magnets—are essential for MRI machines, fusion energy reactors, and quantum supercomputers. However, discovering new superconducting crystals in the lab has always been a grueling, multi-year guessing game.
Materials scientists trained an AI neural network on the quantum physics of "kagome" lattices—materials with atoms arranged in the triangular star patterns of traditional Japanese woven baskets. The AI screened over two hundred thousand candidate formulas, identified two previously unknown ruthenium boride compounds, and guided laboratory robots to cook the exact crystals into reality.
Lab measurements confirmed both new crystals were genuine zero-resistance superconductors. By compressing decades of quantum chemistry into weeks, by discovering exotic topological electronics, and by accelerating the race for room-temperature superconductors, AI-driven materials science creates future physics.
Machine-learning-guided discovery of kagome superconductors YRu 3 B 2 and LuRu 3 B 2
We report the experimental discovery of bulk superconductivity in two kagome lattice compounds, YRu 3 B 2 and LuRu 3 B 2 , which were predicted through machine-learning-accelerated high-throughput screening combined with first-principles calculations. These materials crystallize in the hexagonal CeCo 3 B 2 -type structure with planar kagome networks formed by Ru atoms. We observe superconducting critical temperatures of T c = 0.81 K for YRu 3 B 2 and T c = 0.95 K for LuRu 3 B 2 , confirmed through magnetization, specific heat, and electrical transport measurements. Both compounds exhibit nearly 100% superconducting volume fractions, demonstrating bulk superconductivity. Compared with isostructural LaRu 3 Si 2 , YRu 3 B 2 and LuRu 3 B 2 show a more dispersive Ru local d x 2 − y 2 quasiflat band [and thus a reduced density of states (DOS) at E F ] together with an overall hardening of the phonon spectrum, both of which lower the electron-phonon coupling (EPC) constant λ . Meanwhile, the dominant real-space EPC between Ru local d x 2 − y 2 states and the low-frequency Ru in-plane local x branch remains nearly unchanged, indicating that the reduction of λ originates from the d x 2 − y 2 DOS reduction and the overall phonon hardening. Superfluid weight calculations show that conventional contributions dominate over quantum geometric effects due to the dispersive nature of bands near the Fermi level. This work demonstrates the effectiveness of integrating machine-learning screening, first-principles theory, and experimental synthesis for accelerating the discovery of new superconducting materials.
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