Job description
About the job
Mercor connects elite creative and technical talent with leading AI research labs. Headquartered in San Francisco, our investors include Benchmark, General Catalyst, Peter Thiel, Adam D'Angelo, Larry Summers, and Jack Dorsey.
Position: Atomistic & Surface Modeling Experts (Computational Materials & Catalysis)
Type:Contract
Compensation:$84/hour
Location:Remote
Commitment:10–40 hours/week
Role Responsibilities
Contribute domain expertise in first-principles and molecular simulation. Focus on 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. Catch errors and improve technical accuracy.
Design and solve challenging problems in atomistic and surface modeling.
Rate and rank model outputs against defined scientific criteria. Provide clear written reasoning.
Structure technical knowledge into well-organized, model-ready data. Include simulation setups, methods, and results.
Deliver reliable, high-quality work within defined timelines.
Qualifications
Must-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.
Application Process (Takes 20–30 mins to complete)
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Originally posted on Himalayas
Who can apply
Eligible countries: United States. Accepted UTC offsets: UTC-10, UTC-9, UTC-8, UTC-7, UTC-6, UTC-5, UTC+14. Review the full description for employer-specific work authorization, residency and schedule requirements.