Senior Materials Scientist, AI-Driven PFAS Discovery Remote

Remote Co.; United States; Remote; USD 134,000 - 252,000; Full time

Job summary

SandboxAQ in the United States is seeking a Senior Materials Research Scientist to bridge generative chemistry with external validation partners in PFAS-substitution projects for semiconductor processes.

You will design and rank candidate molecules, translate experimental feedback into actionable improvements, and collaborate across data, chemistry, ML and engineering teams to deliver directionally correct, process-ready solutions.

Qualifications

• PhD in Chemistry, Chemical Engineering, Materials Science, or a related field.
• 3+ years post-PhD experience in industrial or applied R&D developing, formulating, or qualifying high-purity performance 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.
• Familiarity with generative molecular design, high-throughput virtual screening, or ML property prediction for molecules and materials.

Responsibilities

• Support the partner validation loop with external co-development partners as the scientific contact and define target specs, constraints and qualification criteria.
• Run the discovery workflow, assess predicted compounds for chemical plausibility and use-case fit, and rank them for decision-ready shortlists.
• Provide domain judgment on pipeline outputs and validate lead molecules against process constraints.
• Translate experimental feedback into concrete technical improvements for the team across design cycles.
• Align targets across internal teams—data, computational chemistry, ML, and generative modeling.

Skills

Python

Generative ML

High-throughput screening

ML property prediction

Education

PhD in Chemistry, Chemical Engineering, Materials Science, or related field

Tools

Generative chemistry workflow

Computational discovery workflows

Job description

SandboxAQ in the United States is seeking a Senior Materials Research Scientist to bridge generative chemistry with external validation partners in PFAS-substitution projects for semiconductor processes.

You will design and rank candidate molecules, translate experimental feedback into actionable improvements, and collaborate across data, chemistry, ML and engineering teams to deliver directionally correct, process-ready solutions.