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Surface Modeling Expert Fully Remote
Job Location:
Job Location:
New York City, NY - USA
Monthly Salary:
Not provided by the employer
Monthly Salary:
Posted:
11 August 2026 (Yesterday)
Posted:
Application Deadline:
8 November 2026
Application Deadline:
Vacancies:
1 Vacancy
Vacancies:
Job Summary
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 DAngelo Larry Summers and Jack Dorsey.
Position: Atomistic & Surface Modeling Experts (Computational Materials & Catalysis)
Type: Contract
Compensation: $84/hour
Location: Remote
Commitment: 1040 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 2030 mins to complete)
- Upload resume
- AI interview based on your resume
- Submit form
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PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity.
