AI-Driven Materials Discovery Engineer

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

Benefits offered by this job

Medical, dental, vision insurance

401k plan

Vacation leave 8 hours/month

13 paid holidays

Job summary

ASML in San Diego is seeking an AI Engineer for Materials Discovery to advance AI, atomistic simulation, and materials informatics for ASML products. You will develop high-throughput workflows, apply ML potentials, and integrate with DFT and experimental validation.

You will collaborate with computational, experimental, and software teams to translate discoveries into engineering solutions and communicate results to stakeholders.

Qualifications

• PhD in materials science, chemistry, physics, chemical engineering, computational science, or related technical discipline.
• 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 emerging AI and ML methods, including machine-learned 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 materials data generation, processing, modeling, analysis, and visualization.
• Evaluate computational predictions and prioritize promising materials for experimental investigation.
• Collaborate with experimental researchers to design validation strategies and interpret results.
• Establish feedback loops between computation, ML, and experiment to improve predictive capability.
• Assess emerging AI and computational materials technologies for ASML engineering challenges.
• Work with multidisciplinary teams to translate materials concepts into ASML solutions.
• Document methods, results, and recommendations for technical stakeholders.

Skills

Computational materials science

Python programming

ML frameworks

Data pipelines

Materials synthesis knowledge

Model assessment

Cross-disciplinary collaboration

Education

PhD required

Tools

ASE

pymatgen

VASP

Quantum ESPRESSO

LAMMPS

Job description

ASML in San Diego is seeking an AI Engineer for Materials Discovery to advance AI, atomistic simulation, and materials informatics for ASML products. You will develop high-throughput workflows, apply ML potentials, and integrate with DFT and experimental validation.

You will collaborate with computational, experimental, and software teams to translate discoveries into engineering solutions and communicate results to stakeholders.