Materials Science Expert - Remote

YO AI Labs; Miami (NM); Remote; USD 55,000 - 83,000; Part time

Job summary

YO AI Labs is seeking a Materials Science Expert for a flexible, contractor role in a global remote setup. The position focuses on computational materials challenges, building structures, running simulations, and analyzing properties across multiple methods.

You will automate workflows with Python, evaluate results against literature and experiments, and contribute to robust reference solutions in a collaborative environment.

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 & 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

Mechanical/Chemical Engineering with strong materials specialization

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

Job description

About The Role

We're seeking a

Materials Science Expert

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.

Additional Details

Role Type: Contractor

Location: Global, Fully Remote

Schedule: 15 hours/week, flexible