2026 New College Grad - Computational Chemist / Materials Scientist (Machine Learning – Reactive MLIPs) - Doctorate Degree
Tasks
- Analyze structure property and structure reactivity
- Apply enhanced sampling methods
- Build automated simulation pipelines
- Collaborate with experimental teams
- Design active learning workflows
- Develop reactive MLIPs
- Generate and curate DFT training datasets
- Integrate MLIPs with molecular dynamics
- Perform oxidation reduction and diffusion simulations
- Predict energies forces and reaction pathways
- Train and deploy ML driven interatomic potentials
Perks/Benefits
- Employee development programs
- Full-time position
- HPC access
- Relocation assistance
- Travel opportunities
- Wellbeing programs
Skills/Tech-stack
ASE | Active Learning | AiiDA | Atomistic modeling | Bayesian Methods | DeepMD | Density Functional Theory | Equivariant Neural Networks | Fireworks | First Principles Methods | First principles | GAP | Graph Neural Networks | High Performance | High-Performance Computing | Interatomic potentials | LAMMPS | MACE | Machine Learned Interatomic Potentials | Machine Learning | Metadynamics | Molecular Dynamics | NEB | NequIP | Neural Networks | Performance Computing | PyTorch | Python | Reactive Machine Learned Interatomic Potentials | SNAP | TensorFlow | Uncertainty Quantification | VASP
Education
Regions
Countries
States
Cities
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