Battery Modeling Engineer

24 hours ago


India QpiVolta Technologies Full time
Job Description

We are seeking a highly skilled Battery Modeling Engineer to accelerate our battery modeling initiatives through advanced Machine Learning techniques at QpiVolta Technologies.

Key Responsibilities:
  • Develop and implement machine learning models for battery material interface and transport phenomena.
  • Integrate multi-scale modeling approaches spanning quantum chemistry, molecular dynamics, and continuum models.
  • Apply and fine-tune ML force fields for accurate materials simulation.
  • Contribute to the development of battery design and optimization workflows.
  • Collaborate with interdisciplinary teams on battery modeling projects.
Required Skills and Qualifications:
  • Bachelor's degree in Chemistry, Materials Science, Chemical Engineering, Mathematics, Physics, or a related field.
  • Experience applying Large Language Models in Scientific Domains.
  • Strong background in computational modeling at multiple scales: Density Functional Theory (DFT), Molecular Dynamics (MD), Coarse-grained modeling, Continuum modeling.
  • Experience with relevant software tools: LAMMPS for molecular dynamics simulations, DFT software packages (e.g., VASP, Quantum ESPRESSO, or similar), PyBaMM, Battery Design Studio (Python Battery Mathematical Modelling).
Technical Skills:
  • Demonstrated experience in machine learning model development and implementation.
  • Force field development and fine-tuning.
  • Integration of multi-scale modeling approaches.
  • Python programming and scientific computing libraries.
  • Version control systems (e.g., Git).
Battery Modeling Workflow Experience:
  • Proficiency in electrochemical modeling workflows: P2D (pseudo-two-dimensional) models for cell-level simulation, SPM (single particle model) for simplified cell analysis, Newman model implementation and modification, Electrode-scale transport phenomena modeling.
  • Familiarity with multi-physics coupling approaches: Thermal-electrochemical coupling, Mechanical-electrochemical coupling, Aging mechanisms integration.
  • Experience with automated workflow tools: Battery parameter estimation pipelines, Materials screening workflows, Automated DFT calculation setup, High-throughput simulation management.
Preferred Qualifications:
  • Previous research experience in battery materials or electrochemistry.
  • Publications or contributions to papers/open source in relevant fields.
  • Experience with high-performance computing environments.
  • Knowledge of electrochemical characterization techniques.
Salary Range:

$120,000 - $180,000 per year, depending on experience.

Benefits:
  • Comprehensive health insurance.
  • Retirement plan matching.
  • Generous paid time off.
  • Ongoing education and training opportunities.
Project Focus Areas:
  • Battery material interface modeling.
  • Transport phenomena simulation.
  • Stability analysis across multiple scales.
  • ML-accelerated materials discovery.
  • Integration of quantum, molecular, and continuum approaches.
  • Workflow optimization and automation.


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