Staff Research Scientist, Catalyst Simulation

This is a fully remote position, open to applicants in United States.

📋 Description

• Spearhead the conversion of reaction energetics obtained from atomistic simulations and machine learning potentials into predictions suitable for process-scale applications.

• Take ownership of the design and implementation of microkinetic and reactor-level modeling workflows for catalytic chemistries that are relevant to industry.

• Link outputs from atomistic simulations to predictions regarding activity, selectivity, and catalyst lifespan.

• Collaborate with industrial validation partners to evaluate and enhance models based on real-world data.

• Guide junior scientists and influence the technical direction for microkinetic capabilities within SandboxAQ.

⛳️ Requirements

• PhD in Chemical Engineering, Chemistry, Materials Science, or a related discipline, with a strong focus on microkinetic modeling, surface reaction engineering, or multi-scale catalysis simulation.

• Over 6 years of post-PhD experience (or equivalent) in developing and utilizing microkinetic models within an industrial or applied R&D setting, including the integration of atomistic energetics with reactor-level predictions.

• A solid record of publications or patents that showcase expertise in DFT-derived energetics, microkinetic modeling, and reactor-scale integration.

• Skilled in Python and contemporary scientific software practices in an HPC setting; adept at working with ML-trained force fields and foundational models as inputs for kinetic workflows.

• Proven ability to lead application-oriented scientific collaborations with external industrial entities and to effectively communicate findings to audiences without a specialized background.

• Must meet the qualifications of a U.S. Person (Permanent Resident or Citizen).

🏝️ Benefits

• Comprehensive health, dental, and vision insurance

• 401(k) with company match

• Generous parental leave

• Flexible hybrid work arrangements

• Generous PTO

• Culture that values focus time and recovery

• Direct exposure to CHIPS Act-funded programs

• Mentorship and dedicated learning budgets for ongoing professional development