At the Helmholtz Institute Münster: Ionics in Energy Storage (IEK-12), we conduct research on current topics of the energy transition and focus on electrochemical energy conversion and storage, especially regarding new battery concepts.
We are located at the Münster branch of Forschungszentrum Jülich and are run in close cooperation with Westfälische Wilhelms-Universität Münster (WWU) and Rheinisch-Westfälische Technische Hochschule Aachen (RWTH).
At IEK-12, we are addressing the central question of how better energy storage systems can store electrical energy over a long period of time in the smallest possible space. In doing so, we use our understanding of fundamental processes in the battery to further develop battery materials and optimally adapt them to specific requirement criteria. This is how we create the energy storage systems of the future.

We are looking to recruit a

PhD student / Research Assistant in the area of MD simulations on battery electrolytes

Your Job:

Conventional battery electrolytes are thermodynamically unstable against most lithium-based electrodes, leading to the formation of complex passivation layers or interphases. These interphases are vital for the performance and aging of a battery cell, since they prevent the electrolyte from continuous electrochemical degradation, while at the same time being ionically conductive. However, the precise formation mechanism, structure, composition, and evolution remains largely unknown. This PhD project therefore aims to utilize molecular dynamics (MD) simulations based on quantum chemistry (QC) methods in combination with enhanced sampling methods such as metadynamics to gain a detailed understanding of these processes at the molecular level, with a particular focus on novel compounds and additives to improve contemporary electrolytes.

Your specific tasks in detail:

• You perform MD simulations based on ab initio or semi-empirical QC methods in combination with enhanced sampling techniques such as metadynamics
  
• You write analysis programs to extract the relevant information from microscopic trajectories
  
• You strongly interact with experimental groups working on the characterization of electrode interphases via different techniques (e.g. spectroscopy, imaging, voltammetry, etc.)
  
• You take part in regular meetings with the involved project partners
  

Your Profile:

• Excellent university degree (Master) in chemistry physics or chemistry
  
• Competences in MD simulations or QC methods
  
• Knowledge of at least one programming language as well as basic experience with Unix-like operating systems and HPC systems
  
• Experience with sampling techniques for MD simulations is a plus
  
• Strong cooperation and communication skills in English (spoken and written)
  
• Structured and independent way of working
  
• Willingness to work in an international and interdisciplinary team
  

Our Offer:

We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change! We offer ideal conditions for you to complete your doctoral degree:

• An excellent environment to perform high-quality research at an international level
  
• Opportunity to undertake a doctorate at the Department of Chemistry of the WWU Münster upon fulfillment of the requirements
  
• Chance of participation in (international) conferences and meetings as part of your work
  
• Access to cutting-edge computing clusters in Münster and at Jülich Supercomputing Centre
  
• Structured training programme provided by WWU
  
• Usually a contract for the duration of 3 years
  
• Pay in line with 67 % of pay group 13 of the Collective Agreement for the Public Service (TVöD-Bund)
  
• A lively scientific environment within HI MS and possibilities for cooperation with our partners at RWTH Aachen, Forschungszentrum Jülich, and WWU Münster
  

Place of employment: Münster

We welcome applications from people with diverse backgrounds, e.g. in terms of age, gender, disability, sexual orientation / identity, and social, ethnic and religious origin. A diverse and inclusive working environment with equal opportunities in which everyone can realize their potential is important to us.

We look forward to receiving your application until 20.03.2022 via our
Online-Recruitment-System!

Questions about the vacancy?
Get in touch with us by using our contact form.
Please note that for technical reasons we cannot accept applications via email.