Materials Science Specialist (Remote | $80–$130/hr)

Synthires; India; On-site; INR 10,679,000 - 17,353,000; Full time

Job summary

Synthires is seeking Materials Science Experts to support an AI training project focused on computational materials science, materials modeling, scientific simulation, and Python-based workflows. You will create and validate task inputs, run diverse simulations, and compare results to experimental benchmarks.

The role emphasizes reproducible computational methods, communicating assumptions, and developing reference solutions to ensure scientific rigor.

Qualifications

• MS or PhD in Materials Science and Engineering, Metallurgy, or related discipline; or Mechanical/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 in Python.
• Experience using scientific or engineering tools through CLI, scripting, configuration files, or APIs.
• Ability to evaluate modeling assumptions, parameters, approximations, and convergence criteria.
• Strong technical communication and scientific problem-solving skills.

Responsibilities

• Solve and validate computational materials science and engineering problems.
• Create material structures, atomic configurations, compositions, and simulation-ready inputs.
• Run atomistic, electronic-structure, molecular-dynamics, continuum, and electrochemical simulations.
• Use Python to automate calculations, generate inputs, process results, and perform parameter sweeps.
• Analyze mechanical, thermal, electrical, chemical, structural, and electrochemical properties.
• Diagnose failed calculations, convergence issues, numerical instability, and incorrect physical assumptions.
• Compare computational results against experimental data, literature, and expected physical trends.
• Review AI-generated solutions for scientific correctness and develop reproducible reference solutions.
• Clearly communicate modeling assumptions, limitations, computational findings, and scientific reasoning.

Skills

Python

Materials modeling

Data analysis

Literature review

Education

MS/PhD in Materials Science/Engineering

Tools

LAMMPS

ASE

pymatgen

Quantum ESPRESSO

Job description

We are seeking highly skilled Materials Science Experts to support an AI training project focused on computational materials science, materials modeling, scientific simulation, and Python-based engineering workflows.

You’ll create, solve, review, and validate technical tasks involving material structures, properties, processing, performance, and failure, using reproducible computational methods.

Key Responsibilities

• Solve and validate computational materials science and engineering problems.
• Create material structures, atomic configurations, compositions, and simulation-ready inputs.
• Run atomistic, electronic-structure, molecular-dynamics, continuum, and electrochemical simulations.
• Use Python to automate calculations, generate inputs, process results, and perform parameter sweeps.
• Analyze mechanical, thermal, electrical, chemical, structural, and electrochemical properties.
• Diagnose failed calculations, convergence issues, numerical instability, and incorrect physical assumptions.
• Compare computational results against experimental data, literature, and expected physical trends.
• Review AI-generated solutions for scientific correctness and develop reproducible reference solutions.
• Clearly communicate modeling assumptions, limitations, computational findings, and scientific reasoning.

Required Qualifications

• MS or PhD in Materials Science and Engineering, Metallurgy, or a related discipline; or Mechanical/Chemical Engineering with 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 in Python.
• Experience using scientific or engineering tools through CLI, scripting, configuration files, or programmatic APIs.
• Ability to evaluate modeling assumptions, parameters, approximations, and convergence criteria.
• Strong technical communication and scientific problem-solving skills.

Preferred Qualifications

• Experience in computational materials research or engineering analysis.
• Background in academic research, national laboratories, industrial R&D, or computational engineering.
• Familiarity with multiple simulation methodologies and computational materials workflows.
• Experience developing reproducible scientific workflows and automated pipelines.
• Experience validating simulations against experimental or published data.
• Background in materials informatics, scientific computing, or simulation-driven engineering.

Experience with comparable tools is acceptable, including LAMMPS, ASE, pymatgen, Quantum ESPRESSO, FEniCSx, CalculiX, Elmer, or PyBaMM.

Relevant Python and scientific computing tools may include NumPy, SciPy, pandas, Matplotlib, Jupyter, and domain-specific materials or simulation libraries.

No single software package is mandatory.

Compensation

• Competitive compensation of $80–$130/hour.
• Output-based compensation, paid per task that meets project specifications.
• Approximately 15 hours/week.
• Flexible schedule with the ability to choose working hours and days, including weekends.
• Minimum submission requirements apply.