Materials Science Expert - Remote

YO AI Labs

  • Maryland
  • 11 days ago
  • Remote

    Highlights

    Experience with tools such as LAMMPS, ASE, pymatgen, Quantum ESPRESSO, FEniCSx, CalculiX, Elmer, PyBaMM , or equivalent CLI/API-based software. We're seeking a Materials Science Expert to support an AI training project involving computational materials science, materials modeling, scientific simulation, and Python.

    Numbers & Facts

    LocationMaryland (
    Remote
    )

    Description

    Materials Science Expert

    Role Type: Contractor
    Location: Global, Fully Remote
    Schedule: ~15 hours/week, flexible

    About the Role

    We're seeking a Materials Science Expert to support an AI training project involving computational materials science, materials modeling, scientific simulation, and Python. You'll solve, validate, and review materials-engineering tasks and create reproducible, programmatic solutions. No prior AI experience is required.

    Key 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.

    Required Skills

    • Materials Science & Engineering
    • Computational Materials Modeling
    • Materials Simulation & Analysis
    • Python
    • Scientific Computing
    • Structure–Property Relationships
    • Numerical Validation & Troubleshooting
    • Technical Problem-Solving

    Tools

    Experience with tools such as LAMMPS, ASE, pymatgen, Quantum ESPRESSO, FEniCSx, CalculiX, Elmer, PyBaMM, or equivalent CLI/API-based software. Familiarity with NumPy, SciPy, pandas, Matplotlib, or Jupyter is beneficial.

    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.

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