The AI Theorist reveals excitonic structure in $α$-RuCl$_3$
Advances in experimental instrumentation and automation generate increasingly rich datasets, but turning experimental observations into microscopic understanding remains a bottleneck in scientific discovery. To accelerate this process, we introduce AI Theorist, a system of artificial intelligence (AI) agents for autonomous discovery of physical models through hypothesis generation, first-principles calculations and evidence-driven refinement. We apply the framework to $α$-RuCl$_3$, a leading candidate material for realizing a Kitaev quantum spin liquid, to investigate its electronic structure through optical spectra. AI Theorist develops a new interpretation of the optical and photocurren...
| Authors | Hongjian Zhou, Xianfan Nie, Sean Wu et al. |
|---|---|
| Primary category | cs.LG |
| Published | 1 October 2026 |
| Last updated at source | 1 October 2026 |
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