Remote Materials Scientist — Computational Modeling

YO AI Labs; Washington (District of Columbia); Remote; USD 69,000 - 103,000; Part time

Job summary

YO AI Labs seeks a Materials Science Expert to support AI training projects in computational materials science, materials modeling, and Python automation. This contractor role is globally remote with ~15 hours per week, offering flexible scheduling.

The role involves solving and validating materials-engineering tasks, building simulation inputs, and running multi-scale simulations. A MS/PhD or strong materials specialization plus Python proficiency is required.

Qualifications

• MS/PhD in Materials Science or related field.
• Experience in computational materials modeling or R&D.
• Strong Python and tooling experience.
• Ability to explain modeling assumptions and validation.

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

Computational Modeling

Materials Simulation

Python

Scientific Computing

Structure–Property Relationships

Numerical Validation

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 seeks a Materials Science Expert to support AI training projects in computational materials science, materials modeling, and Python automation. This contractor role is globally remote with ~15 hours per week, offering flexible scheduling.

The role involves solving and validating materials-engineering tasks, building simulation inputs, and running multi-scale simulations. A MS/PhD or strong materials specialization plus Python proficiency is required.