Computational Scientist (Catalysis)

Summary

Join SandboxAQ to develop and deploy computational methods for catalytic materials design and optimization, working with a diverse team of experts in AI + Quantum.

Requirements

• PhD in Chemical Engineering, Materials Science, Chemistry or a related discipline
• Extensive experience concerning in silico catalyst discovery (heterogeneous or homogeneous) and optimization with 1-4 years of post-PhD experience, including at least 1 year in an industry environment
• Proven experience providing in silico support to experimental groups working on catalyst design and/or optimization, including microkinetic modeling
• Hands-on experience in developing machine-learned force fields for materials discovery
• Strong background in software development with Python, particularly for computational materials analysis, and experience implementing open-source packages in an HPC environment
• Ability to collaborate effectively within interdisciplinary teams

Responsibilities

• Lead design and implementation of computational workflows simulating reactivity and dynamics of catalytic materials at atomic, mesoscale, and continuum scales
• Prepare reports, presentations, and publications to communicate research findings to internal, academic, and industry partners
• Support business functions in materials science pre-sales customer technical diligence and proposals
• Support client engagements on the research and development of novel materials
• Collaborate with software engineering to improve efficiency and performance of discovery workflows
• Mentor junior scientists and interns in computational methods, ensuring best research and software practices

Benefits

• Competitive salaries
• Stock options depending on employment type
• Generous learning opportunities
• Medical/dental/vision
• Family planning/fertility
• PTO (summer and winter breaks)
• Financial wellness resources
• 401(k) plans