Research Scientist I/II, Computational Organic Electronics

• 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.

• Experience studying organic photovoltaics, organic semiconductors, polymer electronics, molecular electronics, perovskite-organic interfaces, or related materials systems.
• Experience applying AI/ML to computational materials science, molecular simulations, or other physics-based simulations.
• Strong familiarity with agentic AI systems, autonomous scientific workflows, or simulation-aware agents.
• Experience integrating computational predictions with experimental characterization, device measurements, or closed-loop optimization workflows.
• Familiarity with charge transport modeling, excited-state calculations, morphology generation, coarse-graining, and/or multiscale and multiphysics simulations.
• Ability to communicate physical insight, uncertainty, and model limitations to cross-functional collaborators.

We offer competitive base compensation with bonus potential and generous early-stage equity.

Your final offer will reflect your background, expertise, and expected impact.

U.S. Benefits. Full-time U.S. employees receive a comprehensive benefits program including medical, dental, and vision coverage; employer-paid life and disability insurance; flexible time off with generous company wide holidays; paid parental leave; an educational assistance program; commuter benefits, including bike share memberships for office based employees; and a company subsidized lunch program.

International Benefits.

Full-time employees outside the U.S. receive a comprehensive benefits program tailored to their region.

USD salary ranges apply only to U.S.-based positions; international salaries are set to local market.

Lila Sciences is building Scientific SuperintelligenceTM to solve humankind's greatest challenges.

We believe science is the most inspiring frontier for AI.

Rather than hard-coding expert knowledge into tools, LILA builds systems that can learn for themselves.

LILA combines advanced AI models with proprietary AI Science FactoryTM instruments into an operating system for science that executes the entire scientific method autonomously, accelerating discovery at unprecedented speed, scale, and impact across medicine, materials, and energy.

Learn more at www.lila.ai.

Guided by our core values of truth, trust, curiosity, grit, and velocity, we move with startup speed while tackling problems of historic importance.

If this sounds like an environment you'd love to work in, even if you don't meet every qualification listed above, we encourage you to apply.

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