Computational Materials Scientist - PhD
$84 per hourMercor
Job Description
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)
- 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: View email address on ziprecruiter.com
PS: Our team reviews applications daily. Please complete your AI interview and application steps to be considered for this opportunity.
Vacancy posted 12 days ago
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