Materials Science Expert - Remote

YO AI Labs; Seattle (WA); Remote; USD 83,000 - 152,000; Part time

Job summary

YO AI Labs seeks a Materials Science Expert to support an AI training project with computational materials science, materials modeling, and Python-based automation. The role is contractor-based and fully remote, with flexible ~15 hours per week.

You will solve, validate, and review materials-engineering tasks, build simulation inputs, run various simulations, and ensure results align with experiments and literature. A strong foundation in materials science and Python is essential.

Qualifications

• MS/PhD in Materials Science, Metallurgy, or related field.
• 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.
• 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 or related field

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

NumPy

SciPy

pandas

Matplotlib

Jupyter

Job 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.