Computational Materials Scientist - PhD

Mercor
San Francisco, CA
Job Description
Role Overview

We are seeking a Computational Materials Scientist to contribute domain expertise in first-principles and molecular simulation, focusing on electronic structure, surface and interface modeling, adsorption, and reaction energetics. The successful candidate will design and solve challenging problems in atomistic and surface modeling, and deliver reliable, high-quality work within defined timelines.

What You Will Do

The successful candidate will contribute to building high-quality training and evaluation data, review and evaluate AI-generated scientific reasoning, rate and rank model outputs against defined scientific criteria, and provide clear written reasoning.

Why It Might Be a Fit

This role requires hands-on experience with atomistic modeling using first-principles or molecular methods, proficiency with standard tooling, and a PhD in materials science, chemistry, physics, chemical engineering, or a related field.

Requirements

  • Hands-on experience with atomistic modeling using first-principles or molecular methods
  • Experience modeling surfaces, interfaces, and adsorption or reaction phenomena
  • 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
  • Clear written English and the ability to explain technical reasoning concisely

Benefits

  • Competitive hourly rate of $84/hour
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