Atomistic & Surface Modeling Experts (Computational Materials & Catalysis)
Mercor • Remote
Education
PhD
Type
Hourly
Pay Rate
$84/hr
Listed
57d ago
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- Weekly hours
- 10–40 hrs/week
About this role
From the Mercor listing
Mercor is seeking computational scientists specializing in atomistic and surface modeling to support a frontier AI research lab building models for materials science and the physical sciences. This is hands-on, expert-level work: you'll apply deep, specialized knowledge to generate, structure, and evaluate the scientific data these models learn from — and your input will directly shape how advanced models reason about materials, surfaces, and chemical processes.
Key Responsibilities:
Contribute domain expertise across first-principles and molecular simulation — electronic structure, surface and interface modeling, adsorption, and reaction energetics — to build high-quality training and evaluation data.
Review and evaluate AI-generated scientific reasoning, catching errors and improving technical accuracy.
Design and solve challenging, expert-level problems in atomistic and surface modeling.
Rate and rank model outputs against defined scientific criteria, with clear written reasoning.
Structure technical knowledge — simulation setups, methods, and results — into well-organized, model-ready data.
Deliver reliable, high-quality work within defined timelines.
You're a strong fit if you have:
Hands-on experience with atomistic modeling using first-principles or molecular methods (DFT, ab initio molecular dynamics, classical MD, or Monte Carlo).
Experience modeling surfaces, interfaces, and adsorption or reaction phenomena (slab models, surface reconstructions, transition states, NEB, microkinetics).
Experience modeling semiconductor-relevant materials, or a background in computational (heterogeneous) catalysis.
Proficiency with standard tooling (e.g., VASP, Quantum ESPRESSO, CP2K, GPAW, LAMMPS, ASE, pymatgen).
A PhD in materials science, chemistry, physics, chemical engineering, or a related field, ideally with several years of research experience beyond the PhD.
Clear written English and the ability to explain technical reasoning concisely.
Role Details:
Type: Long-term, ongoing engagement
Engagement: Up to 40 hours/week (minimum 10)
Work arrangement: Remote (US-based)
Requirements
- Must be eligible to work in Remote
- Fluent proficiency in English (Written & Verbal)
- Reliable high-speed internet connection
- PhD's degree or equivalent professional experience
- Demonstrated expertise in STEM
How long hiring takes
Across the AI training platforms we refer candidates to, the median gap between referral and hire is about 30 days. It varies by platform and role, so treat it as a rough guide for this one.
Talent Pool members
Apply through this link and we can put you forward to Mercor when your profile is a strong match. Not every applicant is submitted. If you're not in the pool yet, set up your profile first.
Set up your profile →Why this role
At $84/hr, this Atomistic & Surface Modeling Experts (Computational Materials & Catalysis) position compensates STEM expertise on its own terms, the kind of rate that would otherwise only show up inside a law firm, hospital, or research lab.
Talent pool
We're light on STEM candidates
We've matched 65 people with a STEM background against 726 STEM listings we've tracked, so most go out without one. Set up a profile and we'll consider you for a role like this one.
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Common questions
Does it cost money to apply to Mercor?
No, applying and joining Mercor is free. Mercor's revenue comes from a fee it charges the client on top of your hourly rate, not from applicants. Treat any request for payment to join as a red flag.
Is Mercor for freelancers or full-time contractors?
Mercor places you with one client for a defined engagement, like 'Python Tutor for 3 months', rather than having you grab small tasks from a shared queue. Most roles function as steady contract work, not one-off gigs.
Is academic-niche AI training just data labeling?
No, it's closer to academic research. Expect to write or verify complex proofs, solve advanced equations, or check the logic behind a model's step-by-step reasoning. The goal is teaching AI systems to reason deeply within your specific field.
Do I need a PhD for academic-niche AI training roles?
For the top pay tiers, a PhD or current enrollment is usually expected. But the domain assessment is what decides it: if you can solve the problems, the degree becomes secondary.
What does STEM work look like for an Atomistic & Surface Modeling Experts (Computational Materials & Catalysis)?
Tasks here are scoped to STEM, not generic labeling. As an Atomistic & Surface Modeling Experts (Computational Materials & Catalysis), expect to draw on real domain judgment (evaluating outputs, correcting errors, or providing expert reasoning specific to STEM) rather than following a one-size-fits-all rubric. If you don't have hands-on STEM background, this is likely not the right listing to start with.
What specific skills does this listing call for?
English and Expert are named directly in the listing. If you don't have hands-on experience with these, expect the screening process to test for them directly rather than accepting adjacent experience as a substitute.
How many hours per week does this role require?
Based on the listing, this role is scoped at 10–40 hours per week. Treat this as a real commitment expectation, not a loose estimate.
How much does this specific role pay?
This listing is posted at $84/hr, an hourly rate. Pay can change between when we last checked the listing and when you apply, so confirm the current number on the platform's own application page before committing time.
What happens when I click Apply on this listing?
You'll be taken to Mercor's external site to complete your application there. This listing links through a referral, but the process is identical to applying directly; the link just routes you correctly. Create an account on their site and follow their onboarding steps.
Is a PhD required?
For this specific role, yes, or near-equivalent professional depth. The credential gate is enforced at the assessment stage, not just on paper. That said, active PhD candidates and people with equivalent published research have qualified without a formal degree. The assessment is the real filter.
How soon will I start working after applying to Mercor?
Not immediately. Mercor is a talent marketplace, not a task queue, so applying puts you in a pool of candidates. You start working only once a specific client, like a major AI lab, selects your profile, and that matching process can take weeks.