Remote Materials Engineer – Contract, AI-Driven Simulations

Crossing Hurdles; United States; Remote; GBP 83,000 - 135,000; Part time

Job summary

Crossing Hurdles seeks a Materials Science Expert for remote, contract-based work. You will solve and validate computational materials problems, create solver-ready inputs, and model relationships across composition, structure, processing, and properties.

You will run simulations across atomistic to continuum scales, using Python to automate workflows, analyze results, and ensure physical validity. Experience with standard materials tools is required.

Qualifications

• MS or PhD in Materials Science and Engineering, Metallurgy, or closely related discipline.
• MS or PhD in Mechanical Engineering or Chemical Engineering with a substantial 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.
• Experience with CLI-based tools or scripting interfaces for engineering software.
• Ability to justify modeling assumptions, parameters, and convergence criteria.
• Experience with tools like LAMMPS, ASE, pymatgen, Quantum ESPRESSO, or similar programmatic software.

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

Analytical thinking

Problem solving

Scientific reasoning

Education

MS/PhD in Materials Science & Engineering or Metallurgy

MS/PhD in Mechanical or Chemical Engineering with materials specialization

Tools

Python

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

Job description

Crossing Hurdles seeks a Materials Science Expert for remote, contract-based work. You will solve and validate computational materials problems, create solver-ready inputs, and model relationships across composition, structure, processing, and properties.

You will run simulations across atomistic to continuum scales, using Python to automate workflows, analyze results, and ensure physical validity. Experience with standard materials tools is required.