LILA has created the world's first Operating System for Science powered by Scientific Superintelligence™. Backed by General Catalyst.
About the role
Your role will involve applying computational methods and AI to accelerate the discovery and design of organic electronics materials. You will use first-principles modeling, atomistic simulations, scientific machine learning, and agentic AI systems to investigate structure-property relationships in organic and hybrid materials relevant to photovoltaics, semiconductors, optoelectronics, or electronic devices.
What they're looking for
- PhD or equivalent experience in Materials Science, Chemistry, Chemical Engineering, Mechanical Engineering, Physics, or a related field
- Strong foundation in computational materials science and chemistry, including electronic structure methods and large-scale atomistic simulations
- Deep understanding of organic semiconductors, organic electronics, photovoltaics, optoelectronic materials, charge transport, or related device-relevant materials systems
- Experience applying first-principles, molecular simulations, or general atomistic methods to materials discovery, optimization, or understanding
- Ability to connect molecular, morphological, and electronic structure features to device-relevant properties
- Strong programming skills in Python and scientific computing workflows
More about this role
Your role will involve applying computational methods and AI to accelerate the discovery and design of organic electronics materials. You will use first-principles modeling, atomistic simulations, scientific machine learning, and agentic AI systems to investigate structure-property relationships in organic and hybrid materials relevant to photovoltaics, semiconductors, optoelectronics, or electronic devices.
You will work at the intersection of physics-based simulation, AI/ML, and autonomous scientific workflows. The focus is on using computational insight to identify promising materials, explain structure-property relationships, guide optimization, and help agents reason over simulation and experimental data in scientifically grounded ways.
This is a hands-on research role for someone who can connect deep organic electronics and computational materials expertise with practical impact for customer-facing scientific programs. You will collaborate with computational scientists, AI researchers, software engineers, and experimental teams to turn simulations, models, and scientific reasoning into actionable hypotheses and discovery workflows.
- Apply computational modeling and AI for...
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