Remote Computational Materials Scientist for AI Training

YO AI Labs; New York (NY); Remote; USD 83,000 - 152,000; Full time

Job summary

YO AI Labs seeks a Materials Science Expert for an AI training project spanning computational materials science, materials modeling, and simulations. You will develop reproducible, programmatic solutions using Python and validate results against literature and experiments.

This is a contractor, remote role with flexible hours. The role emphasizes solving complex materials-engineering problems, building simulation inputs, and reviewing AI-generated outcomes to ensure reliable references for

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.
• 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

Validation & Troubleshooting

Problem-Solving

Education

MS/PhD in Materials Science

Engineering with materials specialization

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 for an AI training project spanning computational materials science, materials modeling, and simulations. You will develop reproducible, programmatic solutions using Python and validate results against literature and experiments.

This is a contractor, remote role with flexible hours. The role emphasizes solving complex materials-engineering problems, building simulation inputs, and reviewing AI-generated outcomes to ensure reliable references for