About Periodic Labs
We're an AI and physical sciences company building state-of-the-art models to accelerate breakthroughs across materials, energy, and beyond. Backed by world-class investors and growing rapidly, we operate at the pace the frontier requires. Our team brings deep expertise, genuine ownership, and an insatiable drive to push the boundaries of what's scientifically possible.
About the Role
Periodic Labs is building AI systems that reason over quantum mechanical simulations to accelerate materials discovery — and we need engineers who can take that capability directly into the hands of the scientists and organizations who need it most. As a Forward Deployed Engineer focused on quantum simulations, you will embed with customers and research partners to understand their simulation workflows, translate their scientific needs into working solutions, and close the gap between what our platform can do and what the world's best materials scientists require.
This is a technical and scientific role, not a pure account management role. You will write code, debug workflows, configure integrations, and surface product gaps back to our internal teams. You will be the person in the room who understands both the physics of a density functional theory calculation and the API call needed to run it at scale. You will work directly with customers ranging from advanced semiconductor manufacturers to national labs to energy companies — and your work will directly shape how Periodic Labs grows into these markets.
What You'll Do
Embed with customers and research partners to understand their quantum simulation workflows — DFT, quantum chemistry, many-body perturbation theory, mesoscopic scale modeling or force-field-based methods — and translate those workflows into solutions built on Periodic Labs infrastructure
Write and maintain integration code, custom scripts, and workflow automation that connect customer simulation environments (VASP, Quantum ESPRESSO, FHI-aims, CP2K, or similar) to Periodic Labs systems
Configure, validate, and troubleshoot high-throughput simulation pipelines on cloud and HPC environments, ensuring accuracy, reproducibility, and performance
Serve as the primary technical contact for a portfolio of customers, owning the relationship from initial deployment through steady-state operation and expansion
Surface detailed product feedback — missing capabilities, integration friction, accuracy gaps — to Periodic Labs research and engineering teams and help prioritize the roadmap
Collaborate with internal ML and materials science teams to test new simulation capabilities against customer use cases before release
Develop reusable technical assets: onboarding guides, workflow templates, integration libraries, and best-practice documentation that accelerate future deployments
Represent Periodic Labs at technical conferences, workshops, and customer sites — communicating our simulation capabilities credibly to expert scientific audiences
You Will Thrive in This Role If You Have
3–7 years of experience working with quantum chemistry or condensed matter simulation codes, either in research or in an applied/industry context
Hands-on experience with at least one major ab initio or DFT code (VASP, Quantum ESPRESSO, FHI-aims, CP2K, GPAW, or equivalent)
Strong programming skills in Python; comfortable scripting automation, parsing simulation outputs, and building lightweight tooling around simulation workflows
Experience running and managing calculations on HPC clusters or cloud compute environments (AWS, GCP, Azure), including job schedulers such as SLURM or PBS
Ability to communicate complex simulation concepts clearly to both technical and semi-technical audiences — you can explain exchange-correlation functionals to a physicist and convergence testing to a program manager
A customer-facing or deployment-facing mindset: you take ownership of outcomes, communicate proactively, and don't wait to be told when something is broken
Comfort operating in ambiguous, fast-moving environments where the product, the science, and the customer need are all evolving simultaneously
Especially Strong Candidates May Also Have
Experience with Machine learned interatomic potentials (MLIPs) like MACE or UMA and differentiable MD simulation packages.
Experience with materials databases and frameworks (e.g., the Materials Project, OQMD, AiiDA, or Atomate2 workflow frameworks)
Familiarity with the Periodic Labs Onnes platform or similar AI-assisted experimental design systems
Domain depth in a specific application area relevant to Periodic Labs customers: advanced semiconductor packaging, thin-film deposition, superconducting materials, or energy storage
Prior experience in a forward deployed, solutions engineering, or field CTO role at a deep tech or scientific software company
Mechanics
Minimum education: Bachelor’s degree or similar experience
Location: Menlo Park, CA or Montreal, Canada. (Soon: San Francisco, too)
Compensation: The annual compensation range for this role - $200,000-$275,000
Visa sponsorship: Yes, we sponsor visas.
We're building a team of the world's best — the scientists, engineers, and problem-solvers who don't just follow the frontier, they define it. If you're driven to bring AI to life in the physical world and make discoveries that have never been made before, you belong here.