Remote Materials Modeling Specialist — Part-Time, Flexible

YO AI Labs; Palo Alto (CA); Remote; USD 83,000 - 138,000; Part time

Job summary

YO AI Labs is 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. Experience with LAMMPS, ASE, pymatgen and Python is valued, and the role offers flexible hours for a fully remote engagement.

Qualifications

• MS/PhD in Materials Science or related field or Mechanical/Chemical Engineering with materials focus.
• Experience in computational materials modeling, simulation, or R&D.
• Strong Python and programmatic tool experience.
• Ability to explain modeling assumptions and validate results.

Responsibilities

• Solve and validate computational materials science problems.
• Build material structures, compositions, and simulation inputs.
• Run atomistic to continuum simulations and analyze results.
• Use Python to automate simulations, parameter sweeps, and data analysis.
• Analyze property trends and diagnose numerical issues.
• Review AI-generated solutions and develop reference answers.

Skills

Materials Science

Computational Modeling

Python

Scientific Computing

Structure–Property

Numerical Validation

Troubleshooting

Technical Problem-Solving

Education

MS/PhD in Materials Science or related field

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

NumPy

SciPy

pandas

Matplotlib

Jupyter

Job description

YO AI Labs is 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. Experience with LAMMPS, ASE, pymatgen and Python is valued, and the role offers flexible hours for a fully remote engagement.