Remote Materials Modeling Expert (Contractor, Python)

Remotebridge; Mississippi; Remote; USD 110,000 - 207,000; Part time

Job summary

Frontier AI Lab is seeking a Materials Science Expert for a remote, contractor role focused on computational materials science and AI-driven materials engineering. You will build and validate materials models, configure simulations, and explore how composition and structure influence properties and performance.

The role is coding-intensive, leveraging Python and popular simulation tools to automate workflows, run large parameter sweeps, and ensure results are physically meaningful.

Qualifications

• MS or PhD in Materials Science and Engineering, Metallurgy, or related field.
• MS or PhD in Mechanical/Chemical Engineering with strong materials focus.
• Strong understanding of structure–property relationships.
• Experience with computational materials modeling, simulation, or analysis.
• Experience using coding agents and Python.

Responsibilities

• Solve and validate computational materials-science problems.
• Create material structures, atomic configurations, and solver-ready inputs.
• Model relationships between composition, structure, processing, properties, and performance.
• Run atomistic, electronic-structure, molecular-dynamics, continuum or related simulations.
• Use Python to automate calculations, sweeps, and validate outputs.

Skills

Python programming

Materials modeling

Data analysis

Literature review

Education

MS/PhD in Materials Science

MS/PhD in Mechanical Engineering with materials specialization

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

Job description

Frontier AI Lab is seeking a Materials Science Expert for a remote, contractor role focused on computational materials science and AI-driven materials engineering. You will build and validate materials models, configure simulations, and explore how composition and structure influence properties and performance.

The role is coding-intensive, leveraging Python and popular simulation tools to automate workflows, run large parameter sweeps, and ensure results are physically meaningful.