AI-guided Materials Design & Synthesis
Integrating computational property prediction with in-house organic synthesis.
We collaborate closely with research groups doing computational materials design and synthesis of new semiconductor materials. We also synthesize materials in house.
Key questions
- How do we reliably bridge single-molecule quantum chemical predictions with complex thin-film morphology?
- Can design algorithms lead to industrially and practically accessible chemical structures?
Recent highlights
- Charge recombination in polythiophene: non-fullerene acceptor solar cells with IE offsets exceeding 1 eV Energy & Environmental Science (2026)
- Determining Exciton Diffusion Length in Organic Semiconductors: Unifying Macro- and Microscopic Perspectives Advanced Energy Materials (2026)