Senior Staff Computational Materials Engineer - MLIPs

In your career, let’s prove what’s possible.

At Lam Research, we create equipment that drives technological advancements in the semiconductor industry. Our innovative solutions enable chipmakers to power progress in nearly all aspects of modern life, and it takes each member of our team to make it possible.
Across our organization, our employees come to work and change the world. We take on the toughest challenges with precision and accuracy. We push for the next big semiconductor breakthrough. We lead the way in one of the most critical and fast-moving industries on the planet. And we do it together, with deep connections and limitless collaboration.
The impact we have on the world is made possible by focusing on our people. We strive to create an inclusive and diverse culture where everyone’s contribution and voice has value. We evaluate and evolve our offerings, so our people receive the support and empowerment to do meaningful things for their lives, careers, and communities.
Because at Lam, we believe that when people are the priority and they’re inspired to unleash the power of innovation for a better world together, anything is possible.

Location:

Fremont, CA, US, 94538

Worker Category:
On-site Flex

In the Semiverse Solutions Team, we are dedicated to excellence in the virtual experimentation of Lam’s etch and deposition processes. We drive innovation to ensure our cutting-edge solutions are helping to solve the biggest challenges in the semiconductor industry.

As a Senior Staff Computational Materials - MLIPs Engineer at Lam, you will operate on cutting-edge technology, harnessing atomic precision, materials science, and surface engineering to push technical boundaries. Your role involves identifying new and advanced processes and chemical formulations. Your expertise and knowledge will play a crucial role in our customers’ success, making an impact on next generation semiconductor technologies.

• 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 density functional theory (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

Machine Learning for Atomistic Simulations

• Evaluate machine learning interatomic potential (MLIP) architectures (e.g. MACE, Seven Net)
• Design, train, validate and deploy MLIP architectures using DFT reference data to establish predictive molecular dynamics simulations for various semiconductor device materials and process chemistry applications
• Build scalable workflows for data generation, active learning, model training, uncertainty quantification, and validation of ML-based force fields

Software/Infrastructure

• Collaborate with software engineers and domain scientists to integrate MLIP capabilities into simulation platforms and digital twin solutions

Leadership

• Provide technical leadership in computational materials science, computational chemistry, and machine learning methodologies; mentor engineers and influence cross-functional technology roadmaps
• Drive identification, evaluation, and adoption of emerging simulation and AI technologies that create strategic advantage in semiconductor process development

• Ph.D. in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent)
• 8+ years of industry experience, post Ph.D.
• Experience using DFT software (e.g. Gaussian, Quantum Espresso)
• Experience with frontier molecular orbital analysis and full reaction pathway studies
• Experience applying quantum chemistry fundamentals to solve challenges related to semiconductor…