Remote Materials Scientist: Computational Modeling & Python

YO AI Labs

San Francisco (CA)

Remote

USD 83,000 - 165,000

Part time

9 days ago

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Job summary

YO AI Labs is seeking a Materials Science Expert to support an AI training project involving computational materials science, materials modeling, and Python automation. You will build material structures, run simulations, and validate results against literature and experiments.

This remote role emphasizes problem solving, numerical validation, and developing reproducible solutions with tools like LAMMPS, ASE, and PyMatGen.

Qualifications

MS/PhD in Materials Science, Metallurgy, or related field; or Mechanical/Chemical Engineering with strong materials specialization.
Experience in computational materials modeling, simulation, characterization, or materials R&D.
Strong Python and programmatic engineering-tool experience.
Ability to explain modeling assumptions, validate results, and distinguish computational errors from physical behavior.

Responsibilities

Solve and validate computational materials science problems.
Build material structures, compositions, and simulation inputs.
Run and analyze atomistic, electronic, molecular-dynamics, continuum, or electrochemical simulations.
Use Python to automate simulations, parameter sweeps, and data analysis.
Analyze mechanical, thermal, electrical, chemical, and structural properties.
Diagnose convergence, numerical, modeling, and physical-assumption issues.
Compare results with experiments, literature, and expected physical trends.
Review AI-generated solutions and develop reliable reference solutions.