Surface Modeling Expert - Fully Remote | Upto $84/hr

Role Summary

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.

Requirements

• 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)
• Upload resume
• AI interview based on your resume
• Submit form
• Resources & Support
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Additional Information

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