Atomistic & Surface Modeling Experts (Computational Materials & Catalysis) | $84/hr Remote
Overview
This remote role puts your deep expertise in atomistic and surface modeling to work for a frontier AI research lab. You'll help create and refine the scientific data that trains AI models in materials science and physical chemistry. If you're a computational scientist with hands-on DFT or molecular simulation experience, you'll directly shape how these models reason about surfaces, catalysts, and chemical reactions. It's a high-impact, expert-level contract paying $84/hour.
What You'll Do6
- 1Use first-principles and molecular simulation methods — like electronic structure, surface/interface modeling, adsorption, and reaction energetics — to build trustworthy training and evaluation datasets.
- 2Assess AI-generated scientific reasoning, identify flaws, and improve its technical precision.
- 3Create and solve challenging problems in atomistic and surface modeling that push the boundaries of what models can handle.
- 4Score and compare model outputs against established scientific criteria, explaining your judgments clearly in writing.
- 5Convert technical knowledge — simulation setups, methods, and results — into clean, structured data ready for model training.
- 6Consistently deliver accurate, high-quality work on schedule.
Requirements6
- 1Hands-on experience with atomistic modeling using DFT, ab initio molecular dynamics, classical MD, or Monte Carlo approaches.
- 2Proven track record modeling surfaces, interfaces, adsorption, and reactions — for instance, slab models, surface reconstructions, transition states, NEB, or microkinetics.
- 3Background in semiconductor materials or computational (heterogeneous) catalysis.
- 4Proficiency with standard tools like VASP, Quantum ESPRESSO, CP2K, GPAW, LAMMPS, ASE, and pymatgen.
- 5PhD in materials science, chemistry, physics, chemical engineering, or a similar field, ideally with postdoctoral research experience.
- 6Excellent written English and ability to explain technical reasoning concisely.
Who Should Apply
You're a computational materials scientist or chemist who's comfortable working at the intersection of physics, chemistry, and AI. You have a PhD and several years of applied research under your belt, and you're used to designing simulation workflows for surfaces and reactions. You enjoy evaluating and critiquing scientific output, and you can communicate your decisions clearly. You're self-directed, work well remotely, and are excited to help AI models truly understand the physical world.
Salary Insight
$84.00/hour, with a minimum commitment of 10 hours per week and up to 40 hours per week on a long-term ongoing contract.
Location
Required Skills
Application Tip
In your application, describe one specific research project where you used atomistic simulation to solve a surface or catalysis problem — include the tools you chose and the impact of your results. This shows both your technical depth and how you think.
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