Remote Computational Materials Scientist

YO AI Labs; New York (NY); Remote; USD 96,000 - 165,000; Part time

Job summary

YO AI Labs is seeking a Materials Science Expert to support an AI training project focused on computational materials science, materials modeling, and scientific simulation. You will build material structures, run a range of simulations, and create reproducible, programmatic solutions using Python.

This contractor role emphasizes strong modeling validation, data analysis, and the ability to explain modeling assumptions. A global, fully remote setup with flexible weekly hours is offered.

Qualifications

• Materials Science & Engineering knowledge and computational materials modeling experience.
• Experience in materials simulation, characterization, or R&D.
• Strong Python and programmatic engineering-tool experience.

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

Mechanical/Chemical Engineering with materials specialization

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 focused on computational materials science, materials modeling, and scientific simulation. You will build material structures, run a range of simulations, and create reproducible, programmatic solutions using Python.

This contractor role emphasizes strong modeling validation, data analysis, and the ability to explain modeling assumptions. A global, fully remote setup with flexible weekly hours is offered.