PhD scholarship in digitalization of polymer-based battery electrolyte development - DTU Energy

If you have the ambition to build your scientific career at the forefront of cutting-edge research and contribute to accelerating green transition via digitalization, we have a perfect PhD opportunity for you. At the Technical University of Denmark, Department of Energy Conversion and Storage (DTU Energy), we are spearheading the acceleration of the discovery of green materials that could be used in next-generation energy conversion and storage devices.  

We have a unique opening to expand our efforts in developing our self-driving laboratory (SDL) that combines robotics-based lab automation, machine learning, and high-throughput computational simulations. The self-driving labs iteratively conduct a series of experiments selected by the machine learning algorithm that maps the correlation between the user-defined synthesis parameters and the objective. The combination of AI and robotics greatly accelerates the slow chemical space exploration process, which opens the door to designing new types of materials by effectively exploring the vast number of experimental variables.

We have several ongoing SDL activities surrounding the development of battery electrolytes and catalysts for power-to-X applications. The focus of this position is to expand our SDL capabilities to develop and use the SDL infrastructure to design polymer-based electrolytes for battery and power-to-X applications. This project is part of a collaboration with our alliance partner, the University of Queensland, Australia. You will join a vibrant and dynamic team at DTU Energy and the Pioneer Center for Accelerating P2X Materials Discovery (CAPeX, www.capex-p2x.com), who are eager to accelerate the green transition through materials discovery. 

Responsibilities and qualifications
You will work on a project to design fluorinated polymers prepared through light-induced polymerization. The design space for finding the optimal composition and synthesis conditions for polymer electrolytes is too vast to explore manually. Therefore, we are combining self-driving labs, high-throughput atomic scale simulations, and AI to transition to digitalization-based automation of electrolyte development. The immediate goal is to create and utilize digital twins to develop high-performing polymer electrolytes for Mg-ion batteries (i.e., high ionic conductivity, coulombic efficiency, and cyclability at a low cost). However, we expect the gained know-how and infrastructure to be transferred to other battery chemistries and power-to-X applications. 

Your role as a PhD student will be to design and build the autonomous experimental setup using off-the-shelf electronics and custom parts. The project has many parts, including building/expanding our hardware setup, writing control and analysis software using Python programming language, and utilizing high-throughput computational methods, such as density functional theory (DFT) calculations. In addition to being an integral part of a collaborative team, you will also work closely with a collaborating group at the University of Queensland, Australia, and spend a minimum of three months visiting our partner. 

Qualified candidates must have:

• Good working knowledge of electrochemistry.
• Ability to work independently and plan and carry out complicated tasks.
• Good communication skills in English, both written and spoken.
• A proactive approach to problem-solving, capable of identifying new directions and opportunities within the project.

In addition, it is desirable to have:

• Experience with building custom experimental hardware using, e.g., Arduino.
• Experience in Python programming and git repository.  
• Experience in computational materials science, e.g., DFT simulations.

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree.

Approval and Enrolment  
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education . 

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and appointment terms 
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. The period of employment is 3 years.

The starting date is the 1st of September 2024 (or according to mutual agreement). The position is a full-time position.

You can read more about career paths at DTU here .

Further information
Further information may be obtained from Associate Professor Jin Hyun Chang at [email protected]  or Professor Tejs Vegge at [email protected] . 

You can read more about DTU Energy at https://www.energy.dtu.dk/  

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark . Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar ” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU. 

Application procedure 
Your complete online application must be submitted no later than 2 June 2024 (23:59 Danish time) . 

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file . The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae 
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale
• A list of publications (if any) indicating scientific highlights.
• A list of at least two references 

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it. 

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply.

The Department of Energy Conversion and Storage (DTU Energy) focuses on research and development of functional materials, components, and systems for sustainable energy technologies. The technologies include fuel cells, electrolysis, power-to-x, batteries, and carbon capture. The research is based on strong competences on electrochemistry, atomic scale and multi-physics modelling, autonomous materials discovery, materials processing, and structural analyses. We also focus on educating engineering students at all levels, ranging from BSc, MSc, PhD to lifelong learning students. We have about 270 dedicated employees. Read more about us at  www.energy.dtu.dk .

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.