Remote Computational Materials Scientist

YO AI Labs; Town of Texas (WI); Remote; USD 83,000 - 152,000; Part time

Job summary

YO AI Labs is seeking a Materials Science Expert to support AI training on computational materials science topics. The contractor role involves solving and validating simulations, building materials structures, and using Python to automate workflows.

No prior AI experience is required, with flexible ~15 hours per week and global remote work. The position emphasizes rigorous validation, reproducible code, and alignment with experimental trends and literature.

Qualifications

• MS/PhD in Materials Science, Metallurgy, or related field and strong computational background.
• 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

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 AI training on computational materials science topics. The contractor role involves solving and validating simulations, building materials structures, and using Python to automate workflows.

No prior AI experience is required, with flexible ~15 hours per week and global remote work. The position emphasizes rigorous validation, reproducible code, and alignment with experimental trends and literature.