Senior Computational Engineer

What you'll do

• Perform first-principles calculations and atomistic modeling to investigate reaction mechanisms and surface chemistry.
• Generate high-fidelity training datasets from quantum chemistry and density functional theory (DFT) calculations.
• Support process engineering R&D through computational chemistry, chamber simulations, and feature simulations.
• Plan projects by defining and selecting new concepts for simulation evaluation workflows.
• Evaluate modeling data to provide guidance on chemistries, materials, and process specifications.
• Communicate technical chemistry and process insights to stakeholders through presentations and discussions.

What we're looking for

• Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering, or Materials Science (or equivalent).
• At least 3-5 years of industry experience post-Ph.D.
• Experience using DFT software such as Gaussian.
• Experience with frontier molecular orbital analysis and full reaction pathway studies.
• Experience applying quantum chemistry fundamentals to semiconductor processes and materials applications.
• Experience with reactive molecular dynamics (e.g., ReaxFF).
• Experience with MLIP architectures (e.g., MACE, SevenNet).
• Ability to communicate technical insights clearly and work effectively in a collaborative matrix environment.