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

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)

- Upload resume

- AI interview based on your resume

- Submit form

Resources & Support

- For details about the interview process and platform information, please check:

- For any help or support, reach out to:

PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity.

Originally posted on Himalayas