Research Scientist I/II, Computational Organic Electronics

Lila Sciences is seeking a Research Scientist to apply computational methods and AI to accelerate the discovery and design of organic electronics materials. This role involves using first-principles modeling, atomistic simulations, and scientific machine learning to investigate structure-property relationships in materials for photovoltaics and electronic devices. You will collaborate with cross-functional teams to translate scientific insights into actionable hypotheses and discovery workflows.

• Apply computational modeling and AI for materials discovery and design
• Model charge transport and excited-state behavior in organic electronics
• Connect simulation outputs to experimental observations
• Build predictive models from computational and experimental data
• Analyze data to generate actionable materials hypotheses
• Partner with ML, software, and experimental teams on discovery workflows