Materials Science Expert - Remote

YO AI Labs; Houston (TX); Remote; USD 96,000 - 152,000; Full time

Job summary

YO AI Labs is seeking a Materials Science Expert to tackle computational challenges and validate results across multiple scales. The role emphasizes building structures, executing simulations, and rigorous data analysis with Python.

You will compare against experiments and literature to ensure physical validity, diagnose issues, and contribute reliable reference solutions in a flexible, contractor-like engagement with global remote options.

Qualifications

• Advanced degree in materials science or closely related field.
• Experience with computational materials modeling and R&D.
• Strong Python and engineering-tool experience.
• Ability to explain modeling assumptions and validate results.

Responsibilities

• Solve and validate computational materials science problems.
• Build material structures, compositions, and simulation inputs.
• Run and analyze atomistic, MD, continuum, or electrochemical simulations.
• Use Python to automate simulations, 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 expectations.
• Review AI-generated solutions and develop reference results.

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

Mech/Chem Eng with materials specialization

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

NumPy

SciPy

Pandas

Matplotlib

Jupyter

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