AI Materials Scientist: Compute, Model & Simulate

EVB; United States; Remote; USD 120,000 - 180,000; Full time

Benefits offered by this job

Competitive compensation

Job summary

EVB is seeking a highly skilled Materials Science Expert to contribute to an AI training project involving computational materials science, materials modeling, scientific simulation, and Python. The role involves creating material structures, configuring simulations, and validating outputs with code-driven methods to ensure reproducibility and physical meaning across tasks.

Candidates should have an MS/PhD in a relevant field and be comfortable evaluating AI-generated solutions for scientific

Qualifications

• MS/PhD in a relevant field with materials focus.
• Strong ability to justify modeling choices and convergence criteria.
• Experience with programmatic tooling to ensure reproducible results.

Responsibilities

• Solve and validate computational materials-science problems.
• Create material structures and solver-ready inputs.
• Model relationships between composition, structure, processing, properties and performance.
• Run simulations across atomistic to continuum scales.
• Use Python to automate calculations and process results.
• Diagnose failures and ensure physical meaning.
• Compare results with literature and experimental data.

Skills

Python

Computational materials modeling

Structure-property relationships

CLI/Scripting

Convergence criteria understanding

Reproducibility

Education

MS or PhD in Materials Science and Engineering

MS or PhD in Mechanical/Chemical Eng with materials focus

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

NumPy

SciPy

Matplotlib

Job description

EVB is seeking a highly skilled Materials Science Expert to contribute to an AI training project involving computational materials science, materials modeling, scientific simulation, and Python. The role involves creating material structures, configuring simulations, and validating outputs with code-driven methods to ensure reproducibility and physical meaning across tasks.

Candidates should have an MS/PhD in a relevant field and be comfortable evaluating AI-generated solutions for scientific