Staff Computational Chemistry/MD Engineer
Tasks
- Apply computational chemistry to process engineering research
- Build atomistic modeling of reaction mechanisms
- Compile and evaluate modeling data
- Define simulation evaluation workflows
- Generate training datasets from quantum chemistry
- Model surface chemistry
- Perform first principles calculations
- Present chemistry and process insights to stakeholders
- Provide guidance on chemistries and materials limits and variables
- Run process chamber and feature simulations
- Simulate plasma surface interactions
- Support colleagues with atomistic simulations
- Train next generation simulation capabilities
Perks/Benefits
- N/A
Skills/Tech-stack
Density Functional Theory | Frontier Molecular Orbitals | Gaussian | MACE | MLIP | Machine Learning | Molecular Dynamics | Pathway Analysis | Quantum Espresso | Reaction Pathway Analysis | ReaxFF | SevenNet
Education
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