Machine Learning Scientist - Quantum Chemistry
Welwyn, United Kingdom
GBP 75K-101K (estimate) Senior-level Full Time
Tasks
- Build machine learning models for protein ligand interactions
- Build machine learning models for small molecule energetics
- Collaborate with computational and experimental researchers
- Combine quantum chemistry and machine learning model development
- Develop deployable data pipelines
- Ensure pipelines are robust scalable reproducible
- Feed pipelines into molecular design tools
- Generate synthetic datasets using quantum mechanics
- Present talks at conferences
- Publish scientific results
- Release open-source software
Perks/Benefits
- N/A
Skills/Tech-stack
Computational Chemistry | Empirical methods | JAX | Linear Algebra | Machine Learning | Molecular Dynamics | Molecular Modeling | Optimization | Orca | Probability | Psi4 | PySCF | PyTorch | Python | Quantum Chemistry | Semi-empirical methods | XTB
Education
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