Assistant Computational Chemist / Chemical Engineer – Catalysis
Core
Lead and contribute to computational research in electrocatalysis and heterogeneous catalysis, developing multiscale modeling and machine learning methods to advance catalyst design.
Role type
Assistant Computational Chemist / Chemical Engineer (Catalysis)
Builds
Production ML models | research | infrastructure
Domain
Energy materials science / electrocatalysis / heterogeneous catalysis
Deliverable
production ML models | research | infrastructure
Required skills
Quantum mechanics, multiscale modeling, spectroscopy simulations (XANES, EXAFS, Mössbauer), machine learning methods, automated workflows, Python, microkinetic modeling, reactor modeling, catalyst design, mechanistic studies
Preferred skills
PGM-free oxygen reduction reaction (ORR) catalysts, CO₂ reduction catalysis
Technologies
Python, quantum mechanical methods, agentic workflows
Responsibilities
Perform computational studies in electrocatalysis and heterogeneous catalysis, develop and apply multiscale modeling approaches, conduct spectroscopy simulations, develop and implement machine learning methods and automated workflows, collaborate with experimental researchers, contribute to proposal development, mentor postdoctoral researchers and graduate students
Seniority
Senior, hands-on IC