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KashaDong merged 2 commits into from
Nov 26, 2025
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Revise title and add post metadata for Uni-Mol #332

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Revise title and add post metadata for Uni-Mol
KashaDong Nov 26, 2025
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Update Uni-Mol post with OCNet framework details
KashaDong Nov 26, 2025
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9 changes: 7 additions & 2 deletions source/_posts/Uni-Mol_27_10_2025.md
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# Uni-Mol Can Do This Too: Full-Scale AI Design of Optoelectronic Materials from Molecules to Devices
---
title: "What Can Uni-Mol Do too? | Full-Scale AI Design of Optoelectronic Materials from Molecules to Devices"
date: 2025-10-27
categories:
- Uni-Mol
---

From the vivid colors of smartphone displays and the high efficiency of photovoltaic solar panels, to high–energy-density batteries and sharp bio-fluorescent imaging, organic optoelectronic molecules are indispensable. They serve as the “soul” and “modulator” of optoelectronic functions. With structural tunability at the molecular scale, they continuously enable the evolution of optoelectronic devices and their broad application scenarios.

Expand All @@ -8,7 +13,7 @@ Recently, the Functional Molecular Design Team of AI for Science Institute (AISI

OCNet achieves, for the first time, a **unified virtual representation spanning molecules, mesoscale materials, and devices**: it surpasses existing SOTA models by **20%** on molecular-scale performance, enables **cross-material generalizable** mobility prediction in amorphous organic thin films for the first time, and delivers **near-real-time, high-accuracy** prediction of device-level photovoltaic efficiency. The work has been published in *npj Computational Materials* (doi: 10.1038/s41524-025-01788-y).

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# Methodological Highlights

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