Virtual-Alloy Physics-Aware Semantic System for extrapolative prediction of perovskite solar cells
Existing machine-learning models for perovskite solar cells struggle to predict devices made from new materials. Most treat device layers as arbitrary categorical labels and represent perovskite absorbers either through featureless composition vectors or through rigid crystal graphs that require a pre-solved unit cell. As a result, they cannot generalize to unrecorded alloys or unfamiliar cell architectures. We present the Virtual-Alloy Physics-Aware Semantic System (V-PaSS), an architecture built around the physical continuity of perovskite solid solutions. V-PaSS represents arbitrary mixed-cation, mixed-halide absorbers by interpolating relaxed crystal graphs of 23 pure $ABX_3$ endpoint...
| Authors | Qiwei Han, Chi Zhou |
|---|---|
| Primary category | cond-mat.mtrl-sci |
| Published | 13 October 2026 |
| Last updated at source | 13 October 2026 |
Silytics shows public metadata from arXiv and links to the original. Information may be incomplete or out of date. Last refreshed 15 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.