Senior Computational Chemistry Engineer
Tasks
- Compile and evaluate modeling data
- Generate training datasets from quantum chemistry
- Investigate reaction mechanisms
- Model surface chemistry
- Perform first principles calculations
- Plan simulation evaluation workflows
- Present chemistry and process insights
- Run density functional theory calculations
- Simulate plasma surface interactions
- Support process engineering research and development
Perks/Benefits
Skills/Tech-stack
Density Functional Theory | Gaussian | Interatomic potentials | MACE | Machine Learning | Machine Learning Interatomic Potentials | Molecular Dynamics | Molecular Orbital Analysis | Orbital analysis | Quantum Chemistry | Reaction Pathway | Reactive Molecular Dynamics | ReaxFF | SevenNet
Education
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