PhD Scholarships in atomic-scale modelling of organic flow battery materials - DTU Energy

Two PhD positions in atomic-scale modelling of organic flow battery materials. The projects are embedded within an MSCA Doctoral Network “PREDICTOR”. The ideal candidate will have a background in computational chemistry or similar.
We are seeking to fill two positions for PhD projects as part of the MSCA Doctoral Network “PREDICTOR”. PREDICTOR aims to establish a rapid, high-throughput method to identify and develop materials for electrochemical energy storage. It will enable the rapid identification, synthesis and characterization of materials within a coherent development chain, replacing conventional trial-and-error developments. The project carried out at DTU will focus on atomic-scale modelling of organic flow battery materials using electronic structure methods.

Responsibilities and qualifications
There are two projects available at DTU:

Project 1: Stability of flow battery electrolytes
Project 2: Electron transfer kinetics on functionalized electrodes
Both projects will require developing and implementing atomic-scale quantum-mechanical models for molecular systems.

The aim of Project 1 is to develop an automated computational framework for the analysis of the stability of organic flow battery materials. It will require developing and implementing algorithms for the exploration of molecular potential energy surfaces based on electronic structure calculations.

The aim of Project 2 is to develop theoretical and computational tools to simulate heterogeneous electron transfer kinetics between functionalized carbon electrodes and organic electrolytes. The projects will be carried out in collaboration with network partners, requiring 3-6 months of secondments abroad.

The ideal candidate will have a background in computational/theoretical chemistry or similar.

Due to the MSCA mobility requirement, the applicant must not have resided or carried out her/ his main activity (work, studies etc.) in Denmark for more than 12 months in the past 3 years.

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.

Applicable for all scholarships
Approval and Enrolment
The scholarships for the PhD degree are subject to academic approval, and the candidates 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 anticipated starting date is 1st April 2025.

You can read more about career paths at DTU here.
Further information
Further information may be obtained from Prof. Piotr de Silva ([email protected]). Please note that applications send by email will not be considered.

You can read more DTU Energy at 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 8 November 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
• Personal statement on future career goals
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale
• Letters of recommendation (optional)
• Names and contact details of two references

Please indicate which of the two projects you are applying for. If you are applying for both, please specify your preference, if any.

Incomplete applications will not be considered. 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, disability, race, religion or ethnic background are encouraged to apply.

DTU Energy
The Department of Energy Conversion and Storage is focusing on functional materials and their application in sustainable energy technology. Our research areas include fuel cells, electrolysis, polymer solar cells, magnetic refrigeration, superconductivity, thermoelectrics, sustainable synthetic fuels, and batteries. The Department, which has more than 200 employees, was founded in 2012. Additional information about the department can be found on 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.

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