PhD Position in Computational Simulation of Materials | Theoretische Physik VII_NWG Kuo

Job Summary

This PhD position at the University of Bayreuth focuses on the computational simulation of temperature and pressure effects on the structural stability of Ni-rich cathode active materials, crucial for advanced battery electric vehicles. The role involves developing a predictive model that integrates quantum-based simulations and machine learning to explore synthesis conditions for Ni-rich NCMs and low-Co alternatives. The goal is to enable the rational design of advanced energy materials with improved performance and lower cost. Candidates should possess a Master's degree in physics or theoretical chemistry, ideally with a background in density functional theory, charge transport theory, and/or machine learning. Basic programming skills in Python or Fortran, familiarity with Linux OS, and fluency in English are essential. This is an excellent opportunity to join a newly established international team and contribute to cutting-edge research in computational materials design within a structured PhD program.