Role OverviewMercor connects elite creative and technical talent with leading AI research labs. The Surface Modeling Expert will contribute domain expertise in first-principles and molecular simulation, focusing on electronic structure, surface and interface modeling, adsorption, and reaction energetics.
What You Will Do
The role involves reviewing and evaluating AI-generated scientific reasoning, designing and solving challenging problems in atomistic and surface modeling, and delivering reliable, high-quality work within defined timelines.
Why It Might Be a Fit
The ideal candidate will have hands-on experience with atomistic modeling, proficiency with standard tooling, and a PhD in materials science, chemistry, physics, 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, ideally with several years of research experience beyond the PhD
- Clear written English and the ability to explain technical reasoning concisely
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