Staff Computational Chemistry/MD 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 insights regarding chemistry and processes to stakeholders through presentations and discussions.
• Serve as a technical resource for colleagues with less experience in atomistic simulations.

What we're looking for

• Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering, or Materials Science (or equivalent).
• 5-8 years of industry experience post-Ph.D.
• Experience using DFT software such as Gaussian or Quantum Espresso.
• Experience with frontier molecular orbital analysis and full reaction pathway studies.
• Experience applying quantum chemistry fundamentals to semiconductor processes and materials applications.
• Experience with MLIP architectures like MACE or SevenNet.
• Experience with reactive molecular dynamics, such as ReaxFF.
• Strong organizational skills and the ability to manage multiple tasks simultaneously.