Computational Chemist

We're seeking a Computational Chemist to join our team at Applied Materials. As a Computational Chemist, you'll be responsible for chemistry and materials design for screening and optimization applications, working with cutting-edge materials and chemistry discovery tools, and collaborating with internal and external teams. The ideal candidate will have extensive experience with First Principles/Ab-initio/Density Functional Theory, machine learning interatomic potentials, and polymer modeling workflows.

Requirements

• Extensive experience with First Principles/Ab-initio/Density Functional Theory (local orbital and plane wave), Molecular Dynamics, and/or Monte Carlo methods
• Experience with machine learning interatomic potentials both at the training stage and inference stage
• Experience with polymer modeling workflows from polymer structure creation including branching and cross-linking to property prediction especially with a focus on non C-based polymers
• Experience with ML/AI tools (PyTorch, scikitLearn, Chemprop, SMILES, RDKit, LLM, GNN, etc.), scripting (python, Linux), programming (C, Fortran, etc.), and databases (SQL, MongoDB, etc.)
• Knowledge of informatics, artificial intelligence, machine learning, and data science approaches

Benefits

• Generous Paid Time Off
• 401k Matching
• Retirement Plan
• Health and Wellbeing Programs