Senior Computational Materials Engineer: MLIP & DFT Leader

Lam Research; Fremont (CA); Hybrid; USD 166,000 - 350,000; Full time

Job summary

Lam Research in the San Francisco Bay Area is seeking a Senior Staff Computational Materials - MLIPs Engineer to advance atomic-scale simulations for etch and deposition processes. You will leverage quantum chemistry, MLIPs, and HPC to push semiconductor technology.

Responsibilities include first-principles modeling, building training data from DFT, MLIP development, and cross-team collaboration. Leadership and mentorship are expected for a high-performance, innovative environment.

Qualifications

• Ph.D. in a relevant field with 8+ years of industry experience.
• Experience using DFT software (Gaussian, Quantum Espresso).
• Experience with MLIP architectures (MACE, SevenNet).
• Strong Python and HPC experience for large-scale simulations.

Responsibilities

• Perform first-principles calculations and atomistic modeling of reaction mechanisms and surface interactions.
• Generate high-fidelity training data from quantum chemistry/DFT to support simulations.
• Design, train, validate and deploy MLIP architectures for predictive simulations.
• Collaborate with software engineers to integrate MLIP capabilities into platforms.
• Mentor engineers and influence cross-functional technology roadmaps.

Skills

Python programming

Independent problem solving

Cross-functional communication

Time management

Education

Ph.D. in Computational Chemistry/Materials Science

Tools

Gaussian

Quantum Espresso

ReaxFF

Job description

Lam Research in the San Francisco Bay Area is seeking a Senior Staff Computational Materials - MLIPs Engineer to advance atomic-scale simulations for etch and deposition processes. You will leverage quantum chemistry, MLIPs, and HPC to push semiconductor technology.

Responsibilities include first-principles modeling, building training data from DFT, MLIP development, and cross-team collaboration. Leadership and mentorship are expected for a high-performance, innovative environment.