Materials Science Expert - Remote

Oncology Voice Network LLC; New York, Northern (NY, KY); Hybrid; USD 83,000 - 138,000; Part time

Job summary

YO AI Labs seeks a Materials Science Expert to support AI training projects in computational materials science and simulations. You will build material structures, run diverse simulations, and analyze properties using Python, with a focus on validation and reliability.

Remote, flexible ~15 hours/week, contractor role. Ideal candidates hold an advanced degree in materials fields and have experience with domain-specific tools like LAMMPS, pymatgen, or Quantum ESPRESSO.

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.

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

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

NumPy

SciPy

Pandas

Matplotlib

Jupyter

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

NumPy

SciPy

Pandas

Matplotlib

Jupyter

Job description

# Materials Science Expert - RemoteYO AI Labs · Anywhere, NYFULL-TIMERemotePosted Sep 9, 2026## Job DescriptionMaterials 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.