Quantum Chemistry Specialist

Your tasks will include: 

• Apply quantum chemical methods to catalytic and materials systems under active investigation
• Provide first-principles insight into reaction mechanisms, energetics, and structure–property relationships
• Decide which phenomena demand theoretical explanation and which do not

• Work directly with ML researchers on representations, constraints, and inductive biases
• Help prevent physically impossible or misleading model behavior
• Influence how uncertainty and limits of validity are handled

• Interpret experimental results through a quantum chemical lens
• Help resolve discrepancies between models, simulations, and measurements
• Inform which experiments are most theoretically informative

• Run simulations that balance rigor with speed and scale
• Build workflows that others can rely on and extend
• Accept that usefulness matters more than elegance

• PhD in chemistry, materials science, or a closely related field, with3–6 years of post-PhD experience applying quantum chemical methods to real chemical or materials systems
• Strong grounding infirst-principles electronic structure methodsand their practical limitations
• Experience using theory to interpret experiments,validatemodels, or guide experimental direction
• Solid programming skills and comfort building reproducible computational workflows
• Able to balance rigor with pragmatism, choosing therightlevel of theory for the question at hand
• Comfortable collaborating closely with ML researchers, experimental scientists, and automation teams
• Motivated by impact and insight, not theory in isolation
• Fluent in English,additional language desirable