Senior MLIP & Computational Materials Engineer

LAM RESEARCH Corporation; Fremont (CA); Hybrid; USD 166,000 - 350,000; Full time

Job summary

Lam Research in California seeks a Senior Staff Computational Materials - MLIPs Engineer to advance atomistic simulations and ML-driven process insights. You will lead chemistry modeling, MLIP development, and scalable data workflows for semiconductor applications.

Ideal candidates have a PhD, 8+ years of experience, and strong Python/HPC skills, with expertise in DFT tools and reactive MD. Hybrid on-site/remote work options are available.

Qualifications

• PhD in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science.
• 8+ years of industry experience after PhD.
• Experience using DFT software (Gaussian, Quantum Espresso).
• Experience with MLIP architectures and reactive MD (ReaxFF).
• Proficiency in Python and HPC for large-scale simulations.

Responsibilities

• Perform first-principles calculations and atomistic modeling of reaction mechanisms and surface chemistry.
• Generate high-fidelity training data from quantum chemistry/DFT for ML-driven simulations.
• Design, train, validate and deploy MLIP architectures for predictive simulations.
• Build scalable workflows for data generation, active learning, and uncertainty quantification.
• Communicate complex results to stakeholders and guide process specifications.

Skills

communication

team collaboration

Education

Ph.D. in Computational Chemistry or related field

Tools

Gaussian

Quantum Espresso

Python

ReaxFF

MLIP architectures (MACE, SevenNet)

HPC environments

Job description

Lam Research in California seeks a Senior Staff Computational Materials - MLIPs Engineer to advance atomistic simulations and ML-driven process insights. You will lead chemistry modeling, MLIP development, and scalable data workflows for semiconductor applications.

Ideal candidates have a PhD, 8+ years of experience, and strong Python/HPC skills, with expertise in DFT tools and reactive MD. Hybrid on-site/remote work options are available.