Catalyst Simulation Postdoctoral Researcher

Summary

Join SandboxAQ, a high-growth company delivering AI solutions, as a Catalyst Simulation Postdoc. Lead the implementation of computational workflows to model catalytic materials' reactivity and dynamics. Collaborate with a team of experts using state-of-the-art atomistic modeling techniques. Support client engagements and develop hybrid optimization pipelines. Prepare reports and publications to communicate research findings. This 1-3 year, remote position offers a competitive salary, bonuses, equity, and benefits.

Requirements

• Currently enrolled or recently completed a STEM PhD Program in Chemical Engineering, Materials Science, Physics, Chemistry, Computational Science, or related fields
• Intermediate to advanced skill in programming languages (e.g. Python)
• Proficiency in density functional theory (DFT), molecular dynamics (MD), kinetic modeling, and other computational techniques, with the ability to integrate these with machine learning approaches
• Significant domain experience modeling chemical reaction networks for at least one of the following catalyst material classes, as indicated by at least one relevant high-impact publication: porous materials, homogeneous transition metal complexes, heterogeneous transition metal or metal oxide surfaces

Responsibilities

• Lead design and implementation of new computational workflows simulating reactivity and dynamics of catalytic materials at atomic, mesoscale, and continuum scales
• Support client engagements on the research and development of novel catalysts
• Collaborate with cross-functional teams to create hybrid optimization pipelines that combine physics-based catalyst simulation approaches, modern machine learning methods, experimental reactor measurements, and experimental catalyst characterization techniques
• Prepare reports, presentations, and publications to communicate research findings to internal, academic, and industry partners

Preferred Qualifications

• Experience developing machine learning force fields for solid-state systems is a plus
• Experience providing in silico support to experimental groups working on catalyst design and/or optimization is a plus

Benefits

• The US base salary range for this full-time position is expected to be $115k - $135k per year
• This role may be eligible for annual discretionary bonuses and equity
• Medical/dental/vision
• Family planning/fertility
• PTO (summer and winter breaks)
• Financial wellness resources
• 401(k) plans
• Competitive salaries
• Stock options depending on employment type
• Generous learning opportunities