Materials Science Expert - Remote

YO AI Labs

New York, NY

Job Description
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.

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Vacancy posted 10 days ago

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