[Hiring] Computational Materials Scientist @Mercor

Role Description

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 to build high-quality training and evaluation data.
• Review and evaluate AI-generated scientific reasoning to improve technical accuracy.
• Design and solve expert-level problems in atomistic and surface modeling.
• Rate and rank model outputs against scientific criteria with clear reasoning.
• Structure technical knowledge into well-organized, model-ready data.
• Deliver reliable, high-quality work within defined timelines.

Qualifications

• 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.
• Proficiency with standard tooling (e.g., VASP, Quantum ESPRESSO, CP2K, GPAW, LAMMPS, ASE, pymatgen).
• PhD in materials science, chemistry, physics, chemical engineering, or a related field.
• Clear written English and the ability to explain technical reasoning concisely.

Requirements

• Experience modeling semiconductor-relevant materials or a background in computational (heterogeneous) catalysis.

Application Process

• Upload resume
• AI interview based on your resume
• Submit form

For details about the interview process and platform information, please check: Interview Process Details

For any help or support, reach out to: [email protected]

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