AI Materials Discovery Engineer

ASML; San Diego (CA); On-site; USD 129,000 - 189,000; Full time

Benefits offered by this job

Medical insurance

Dental insurance

Vision insurance

401k

Vacation leave

Paid holidays

Job summary

ASML is seeking an AI Engineer, Materials Discovery, to develop and apply AI, ML, and computational materials science methods to accelerate discovery and optimization of materials for ASML products. You will work at the intersection of AI, atomistic simulation, and experimental validation with cross-functional teams.

The role emphasizes high-throughput workflows, ML potentials, and integration with DFT and molecular simulations.

Qualifications

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

Responsibilities

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

Skills

Python programming

Scientific computing

Machine learning

Data analysis

Communication to stakeholders

Education

PhD in materials science, chemistry, physics, chemical engineering, computational science

Tools

ASE

pymatgen

VASP

Quantum ESPRESSO

LAMMPS

Job description

ASML is seeking an AI Engineer, Materials Discovery, to develop and apply AI, ML, and computational materials science methods to accelerate discovery and optimization of materials for ASML products. You will work at the intersection of AI, atomistic simulation, and experimental validation with cross-functional teams.

The role emphasizes high-throughput workflows, ML potentials, and integration with DFT and molecular simulations.