Research Scientist I/II, Computational Organic Electronics

Location: Cambridge, MA, USA

Salary: $176,000–$304,000 USD base salary per year, with bonus potential and early-stage equity.

Company

hirify.global is building AI-powered scientific systems that autonomously execute scientific workflows to accelerate discovery across materials, medicine, and energy.

What you will do

• Apply computational modeling and AI to discover and design organic semiconductors, photovoltaic materials, polymeric electronic materials, and organic electronic devices.
• Model charge transport, excited-state behavior, morphology-property relationships, and other mechanisms affecting device performance.
• Connect simulation outputs with experimental observations and build workflows that close the loop between computation and experiment.
• Develop predictive models from computational and experimental data to guide materials selection and optimization.
• Analyze scientific data, generate actionable materials hypotheses, and communicate physical insights and model limitations.
• Collaborate with computational scientists, AI researchers, software engineers, and experimental teams.

Requirements

• 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 systems.
• Experience applying first-principles, molecular, or atomistic methods to materials discovery, optimization, or analysis.
• Ability to connect molecular, morphological, and electronic structure features to device-relevant properties.
• Strong Python programming and scientific computing skills.

Nice to have

• Experience with organic photovoltaics, polymer electronics, molecular electronics, perovskite-organic interfaces, or related materials systems.
• Experience applying AI/ML to computational materials science or physics-based simulations.
• Familiarity with agentic AI, autonomous scientific workflows, simulation-aware agents, charge transport modeling, excited-state calculations, morphology generation, coarse-graining, or multiscale simulations.
• Experience integrating computational predictions with experimental characterization, device measurements, or closed-loop optimization.

Culture & Benefits

• Full-time U.S. employees receive medical, dental, and vision coverage.
• Benefits include employer-paid life and disability insurance, flexible time off, company-wide holidays, and paid parental leave.
• Educational assistance, commuter benefits, bike share memberships for office-based employees, and a subsidized lunch program are available.
• Core values include truth, trust, curiosity, grit, and velocity, with an early-stage startup working style.