AI Materials Discovery Engineer

ASML US, LLC; 4S Ranch (CA); On-site; USD 129,000 - 189,000; Full time

Benefits offered by this job

Medical, dental, vision insurance

401k plan

Vacation leave and holidays

Job summary

ASML US, LLC in California seeks an AI Engineer, Materials Discovery to lead high-throughput computational workflows and apply machine learning to accelerate materials screening. You will integrate ML with DFT, molecular simulations, and materials informatics, while developing Python-based data pipelines for generation, processing, modeling, analysis, and visualization.

You will evaluate predictions, collaborate with experimental researchers to plan validation, and help translate materials

Qualifications

• PhD in materials science, chemistry, physics, chemical engineering, computational science or a related field.
• Experience applying computational methods to materials or chemical systems.
• Experience developing scientific software or data-analysis workflows using Python.
• Experience with ML, data-driven modeling, or AI methods for science/engineering.

Responsibilities

• Develop and execute high-throughput computational materials discovery and screening workflows.
• Apply AI/ML methods, including ML interatomic potentials and surrogate models, to accelerate materials simulation and discovery.
• Combine AI-enabled methods with DFT, molecular simulation, and materials informatics.
• Develop Python-based workflows for data generation, processing, modeling, analysis, and visualization.
• Evaluate predictions and prioritize materials for experimental validation.
• Collaborate with experimental researchers to design validation strategies and interpret results.
• Establish feedback loops between computation, ML, and experiment to improve predictions.
• Assess emerging AI and computational materials technologies for ASML engineering challenges.
• Translate promising materials concepts into ASML product-relevant solutions.
• Document methods, results, and recommendations for technical and non-technical stakeholders.

Skills

Python programming

Machine learning

High-throughput workflows

Computational materials science

Data analysis

Communication

Education

PhD in materials science or related field

Tools

ASE

pymatgen

VASP

Quantum ESPRESSO

LAMMPS

Job description

ASML US, LLC in California seeks an AI Engineer, Materials Discovery to lead high-throughput computational workflows and apply machine learning to accelerate materials screening. You will integrate ML with DFT, molecular simulations, and materials informatics, while developing Python-based data pipelines for generation, processing, modeling, analysis, and visualization.

You will evaluate predictions, collaborate with experimental researchers to plan validation, and help translate materials