🌌 ◆ Frontier — not yet benchmarked Ch.15 Materials, Energy & Climate

Room-Temp Superconductivity

Room-Temperature Superconductivity — Eliashberg Tc · Materials Science

Design a material that superconducts at room temperature — predict Tc from electron–phonon coupling and invert for high-Tc structures.

📋 The problem

Superconductors carry current without loss — but only when cold. A material that superconducts at ambient temperature and pressure would transform energy and computing. Predicting Tc from electron–phonon coupling (Eliashberg / Allen–Dynes) and inverting for high-Tc structures is the path.

🧗 Why it's a grand challenge

Tc depends sensitively on the phonon spectrum and coupling; DFT is expensive; dynamical stability constrains candidates; extraordinary claims demand reproducibility.

🧮 Governing model

Tc = (ω_log/1.2)·exp(−1.04(1+λ) / (λ − μ*(1+0.62λ)))  (Allen–Dynes)

Eliashberg/Allen–Dynes Tc from the electron–phonon spectral function α²F(ω) and Coulomb pseudopotential μ*; inverse-design candidate crystals for high Tc.

Current best: Hydride high-pressure superconductors (LaH10, H3S) + ML Tc models

🧭 Possible approaches

  • ML surrogates of electron–phonon coupling / Tc
  • Generative inverse design of dynamically-stable high-Tc crystals
  • Eliashberg-informed screening pipelines

🎯 Build the benchmark

Predict Tc from structure / α²F with MAE ≲ 12 K, enforcing dynamical stability; an inverse-design track scores the high-Tc hit rate.

Metric: Tc_mae — MAE on predicted Tc in K (lower better)

Datasets to start from: SuperCon Tc database, DFT electron-phonon α²F corpus, High-pressure hydride dataset

☆ Build the benchmark — earn PWM →

🤖 Build an AI agent to solve it

An agent that proposes candidate superconductors and predicts Tc + stability, prioritizing synthesis-ready structures.

Once a benchmark exists, an AI4Science agent can iterate solutions against it — every verified solution earns PWM.

⚛ View the machine-readable principle (L1-915) → ← All grand hard problems

This is a frontier framing page — an open problem, not yet benchmarked or verified, unlike PWM's mature computational-imaging benchmarks.