Remote Materials Modeling Specialist (Part-Time, 15h/wk)

YO AI Labs

Atlanta (GA)

Remote

USD 60,000 - 90,000

Part time

9 days ago
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Job summary

YO AI Labs is seeking a Materials Science Expert for a contractor role focused on computational materials science, simulations, and Python-driven automation. The candidate will build simulation inputs, validate results, and review AI-generated solutions, ensuring reproducible, reference-grade outcomes.

Requires strong background in materials science and computing, with experience in similar simulations and tools.

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.

Skills

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

Education

MS/PhD in Materials Science, Metallurgy, or related field
Mechanical/Chemical Engineering with materials specialization

Tools

LAMMPS
ASE
pymatgen
Quantum ESPRESSO
FEniCSx
CalculiX
Elmer
PyBaMM

Job description

YO AI Labs is seeking a Materials Science Expert for a contractor role focused on computational materials science, simulations, and Python-driven automation. The candidate will build simulation inputs, validate results, and review AI-generated solutions, ensuring reproducible, reference-grade outcomes.

Requires strong background in materials science and computing, with experience in similar simulations and tools.

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