PhD position (m/f/d) in Computational Simulation of Temperature and Pressure Effects on the Structural Stability of Ni-rich Cathode Active Materials
Chair of Theoretical Physics VII
Application deadline:
The University of Bayreuth is a research-oriented university with internationally competitive and interdisciplinary profile fields in research and teaching. The Chair of Theoretical Physics VII has the following vacancies:
PhD position (m/f/d) in Computational Simulation of Temperature and Pressure Effects on the Structural Stability of Ni-rich Cathode Active Materials
The project
Ternary lithium nickel cobalt manganese (LiNixCoyMn1-x-y, NCM), particularly Ni-rich NCM with Ni content higher than 0.6, is regarded as one of the best options for premium battery electric vehicles (BEVs) due to its relatively high energy density and power density, making it commercially attractive for BEV applications requiring short charging time and long cycle life. However, thermal instability and relatively high cost are two major challenges that restrict the large-scale production of Ni-rich NCM for BEVs globally. This project aims to predict synthesis conditions (e.g. temperature and pressure) for Ni-rich NCMs and to explore low-Co (Co-free) alternatives by developing a predictive model that integrates quantum-based simulations and machine learning. The goal is to enable the rational design of advanced energy materials with improved performance and lower cost.
Your profile
We are looking for excellent, highly motivated early career researchers to join our research team. Candidates should have 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 (Python or Fortran), an acquaintance with the Linux OS, and fluency in English are expected.
Our offer
We offer excellent working conditions in a newly established international team at the University of Bayreuth. The earliest starting date is 9/2025.
The salary and working hours are in accordance with the funding guidelines of the University of Bayreuth for early-career scientists. The salary is based on the public salary scale TV-L E13. The PhD position (50%) is limited to three years and serves the requirement of a scientific qualification (doctorate). A structured PhD program is offered in the graduate school of the University of Bayreuth.
Successful candidates will work in an international group focusing on computational materials design (www.oberhofer.physik.uni-bayreuth.de/en/kuo/). Finally, the combined experimental/theoretical research project offers ample room for close collaboration with experimental colleagues from a variety of relevant fields, as an added advantage of the offer.
The University of Bayreuth values the diversity of its employees and is explicitly committed to the goal of gender equality. Women are strongly encouraged to apply. Applicants with children are very welcome. The University of Bayreuth is a member of the Best Practice Network "Familie in der Hochschule e. V.” and has successfully participated in the HRK audit "Internationalization of the University". People with severe disabilities will be given preferential consideration if equally qualified.
Your application
Please apply online via our application portal of the University of Bayreuth. Your application should contain a cover letter (describing your past and current research interests), your CV, your publication list as well as contact information of two references.
Call identifier: TPhysik VII
The documents will be deleted after the position has been filled in accordance with data protection requirements.
Applications close on the 27th of August 2025.
For further information please contact Dr. Liang-Yin Kuo (liang-yin.kuo@uni-bayreuth.de).