Remote Materials Science Expert: Computational Modeling Pro

NEPSE Trading; United States; Remote; USD 110,000 - 179,000; Full time

Job summary

NEPSE Trading is seeking a Materials Science Expert for a fully remote contractor role. The expert will tackle computational problems, generate material structures, and automate simulations using Python across multiple scales, from atomistic to continuum.

The position emphasizes validating results, analyzing properties, and ensuring reproducibility with robust verification methods. Flexible scheduling supports ~15 hours per week, including weekends if needed.

Qualifications

• MS or PhD in Materials Science and Engineering or closely related discipline.
• MS or PhD in Mechanical Engineering/ Chemical Engineering with materials specialization.
• Strong understanding of materials behavior and structure–property relationships.

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, electrochemical, or related simulations.
• Use Python to generate inputs, automate calculations, and process results.

Skills

Python

Materials science

Computational modeling

Structure-property relationships

Data analysis

Education

MS or PhD in Materials Science and Engineering

MS or PhD in Mechanical Engineering with materials specialization

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

FEniCSx

CalculiX

Elmer

PyBaMM

Job description

NEPSE Trading is seeking a Materials Science Expert for a fully remote contractor role. The expert will tackle computational problems, generate material structures, and automate simulations using Python across multiple scales, from atomistic to continuum.

The position emphasizes validating results, analyzing properties, and ensuring reproducibility with robust verification methods. Flexible scheduling supports ~15 hours per week, including weekends if needed.