Senior Computational Materials Engineer MLIP Lead

Lam Research Salzburg GmbH; Fremont (CA); On-site; USD 166,000 - 350,000; Full time

Job summary

Lam Research Salzburg GmbH is seeking a Senior Staff Computational Materials - MLIPs Engineer to advance MLIP-based simulations for semiconductor processes. You will lead atomistic modeling, MLIP development and integration into simulation platforms, collaborating with cross-functional teams across software, chemistry and process engineering.

The role emphasizes leadership, mentoring, and driving AI-driven solutions in a fast-moving industry, with a strong focus on experimental validation and

Qualifications

• Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science.
• 8+ years of industry experience, post Ph.D.
• Experience using DFT software (Gaussian, Quantum Espresso).
• Experience with frontier molecular orbital analysis and full reaction pathway studies.
• Experience applying quantum chemistry fundamentals to semiconductor processes and materials applications.
• Experience developing, training, validating, and deploying MLIP architectures (e.g. MACE, SevenNet).
• Experience with reactive molecular dynamics (e.g. ReaxFF).
• Proficiency in Python, or related languages.
• Experience utilizing HPC environments for large‑scale simulations and data analysis.
• Demonstrated ability to independently solve complex technical problems and communicate results to multidisciplinary teams.
• Strong organizational skills and demonstrated ability to manage multiple tasks simultaneously.
• Ability to react to shifting priorities to meet business needs and deadlines.

Responsibilities

• Perform first-principles calculations and atomistic modeling to investigate reaction mechanisms, surface chemistry, plasma-surface interactions, and materials behavior.
• Generate high fidelity training datasets from quantum chemistry and DFT calculations to support development of next-generation simulation capabilities.
• Utilize computational chemistry learning to support process engineering research & development, and process/chamber/feature simulations.
• Compile and evaluate modeling data to provide guidance on chemistries and materials, as well as appropriate limits and variables for process specifications.
• Communicate chemistry and process insights clearly through presentations and technical discussions with stakeholders.
• Evaluate MLIP architectures (e.g. MACE, SevenNet) and deploy MLIP with DFT data for predictive simulations.
• Build scalable workflows for data generation, active learning, model training, uncertainty quantification, and validation of ML-based force fields.
• Collaborate with software engineers to integrate MLIP capabilities into simulation platforms and digital twins.
• Provide technical leadership in computational materials science, computational chemistry, and ML methodologies; mentor engineers and influence roadmaps.
• Drive identification, evaluation and adoption of emerging simulation and AI technologies for semiconductor process development.

Skills

Python proficiency

HPC experience

Independent problem solving

Effective communication

Leadership

Multidisciplinary collaboration

Adaptability

Scientific programming

Education

Ph.D. in Computational Chemistry or related field

8+ years of industry experience

Tools

Gaussian

Quantum Espresso

ReaxFF

Job description

Lam Research Salzburg GmbH is seeking a Senior Staff Computational Materials - MLIPs Engineer to advance MLIP-based simulations for semiconductor processes. You will lead atomistic modeling, MLIP development and integration into simulation platforms, collaborating with cross-functional teams across software, chemistry and process engineering.

The role emphasizes leadership, mentoring, and driving AI-driven solutions in a fast-moving industry, with a strong focus on experimental validation and