Remote Materials Science Expert for AI-driven Simulations

Visa Hunt; United States; Remote; USD 110,000 - 179,000; Full time

Job summary

Visa Hunt seeks a Materials Science Expert for a remote, contractor role focused on AI training in computational materials science. You will build material models, run simulations, and validate outcomes using Python and CLI-driven tools.

You will work on tasks involving structure-property relationships, processing, performance, and failure analysis, ensuring reproducible, code-based solutions across various simulation methods.

Qualifications

• MS or PhD in Materials Science and Engineering, Metallurgy, or related discipline; or an MS/PhD in Mechanical or Chemical Engineering with materials specialization.
• Strong understanding of materials behavior and structure–property relationships.
• Experience with computational materials modeling, simulation, characterization, or materials-focused engineering analysis.
• Practical proficiency with Python.

Responsibilities

• Solve and validate computational materials-science and materials-engineering problems.
• Create material structures, atomic configurations, compositions, and solver-ready inputs.
• Model relationships between composition, structure, processing, properties, and performance.
• Run atomistic, electronic-structure, molecular-dynamics, continuum, electrochemical, or related simulations.
• Use Python to generate inputs, automate calculations, conduct parameter sweeps, process results, and validate outputs.
• Analyze mechanical, thermal, electrical, chemical, structural, or electrochemical properties.
• Diagnose failed calculations, invalid structures, convergence problems, numerical instability, and incorrect physical assumptions.
• Compare computational results with experimental data, literature values, known properties, or expected physical trends.
• Review AI-generated solutions for scientific correctness and identify invalid assumptions, configurations, or conclusions.
• Develop reproducible reference solutions and objective verification methods.

Skills

Python

Materials science

CLI workflows

Problem solving

Education

MS/PhD in Materials Science

MS/PhD in Mechanical/Chemical Eng with materials specialization

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

Job description

Visa Hunt seeks a Materials Science Expert for a remote, contractor role focused on AI training in computational materials science. You will build material models, run simulations, and validate outcomes using Python and CLI-driven tools.

You will work on tasks involving structure-property relationships, processing, performance, and failure analysis, ensuring reproducible, code-based solutions across various simulation methods.