Senior Materials Research Scientist (PFAS Team) - AI-Driven Chemistry Discovery

About SandboxAQ: SandboxAQ is a high-growth AI solutions company addressing global challenges through Large Quantitative Models (LQMs). The company specializes in life sciences, financial services, navigation, cybersecurity, and more. Emerging from Alphabet Inc. in 2022, SandboxAQ is backed by leading investors and industry leaders, fostering a collaborative, tech-driven global team.

The PFAS team, part of SandboxAQ's Chemical Simulation (ChemSim) group, focuses on developing PFAS-lean or PFAS-free substitutes for semiconductor process and fab materials. Their mission is to meet performance, environmental, and safety requirements in complex semiconductor manufacturing environments. The team combines generative ML, physics-based simulation (e.g., DFT and molecular dynamics), Large Quantitative Models for property prediction, and multi-scale modeling with experimental validation loops to move candidate molecules from prediction to qualified use.

Introduction to the Role: The PFAS team is seeking a Senior Materials Research Scientist to bridge AI-driven chemistry discovery workflows and external partner validation. This role involves:

• Supporting the partner validation loop by working with co-development partners on problem definition, target specifications, constraints, and qualification criteria.
• Running the generative chemistry workflow, assessing predicted compounds, and ranking them by fitness for use cases to deliver decision-ready shortlists for partner validation.
• Translating experimental feedback from partners into actionable technical improvement points for the team.
• Validating lead molecules against process reality and ensuring workflow outputs are directionally and qualitatively accurate.

Key Responsibilities:

• Support the partner validation loop: Work with external partners (chemical suppliers, semiconductor equipment makers, and control/sensor companies) to define target specifications, constraints, and qualification criteria.
• Run the discovery workflow and rank candidates: Operate SandboxAQ's generative chemistry workflow for PFAS-substitution use cases, assess predicted compounds for chemical plausibility and use-case fit, and produce decision-ready shortlists.
• Bring domain judgment to the pipeline: Assess whether generative and simulation outputs are directionally and qualitatively correct for semiconductor applications and validate lead molecules against process, performance, and EHS constraints.
• Close the experimental feedback loop: Translate partner validation results into specific, actionable technical improvement points and follow their incorporation through successive design cycles.
• Align targets across internal teams: Collaborate with internal dataset, computational chemistry, machine-learning, and generative-modeling teams to align property targets, screening oracles, and reward objectives with partner-defined qualification criteria.

Essential Skills & Experience:

• A PhD in Chemistry, Chemical Engineering, Materials Science, or a related field.
• 3+ years of post-PhD experience in industrial or applied R&D developing, formulating, or qualifying high-purity performance materials and formulations.
• Familiarity with performance and EHS specifications governing qualification of process materials.
• Experience bridging experiment and computation on application-driven projects with external partners.
• Proficiency in Python to run and configure computational discovery workflows and interpret outputs, with comfort collaborating with generative-ML and physics-based simulation teams.
• Familiarity with generative molecular design, high-throughput virtual screening, or ML property prediction for molecules and materials.

Highly Desired Skills & Experience:

• Experience defining qualification protocols or reliability criteria jointly with fabs, OEMs, or chemical suppliers.
• Direct, hands-on experience with PFAS phase-out or fluorine-free reformulation in a fab or specialty-chemicals setting.
• Working knowledge of semiconductor unit processes (e.g., lithography, etch, CMP, cleaning, thermal management).
• A track record of publications or patents in semiconductor materials, fluorochemistry, or PFAS alternatives.
• Experience operating within a CHIPS Act or other federally funded R&D program.

Why Join Us?

• Compensation: Competitive base salary commensurate with experience, plus equity and performance-based incentives.
• Benefits: Comprehensive health, dental, and vision insurance; 401(k) with company match; generous parental leave.
• Work-Life Balance: Flexible hybrid work arrangements, generous PTO, and a culture that respects focus time and recovery.
• Career Development: Direct exposure to CHIPS Act-funded programs, mentorship, and dedicated learning budgets.