PhD position in Computational Electrocatalysis – DTU Physics

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PhD position in Computational Electrocatalysis – DTU Physics
Kgs. Lyngby, Denmark

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Job Description

We are seeking an outstanding PhD candidate in the field of computational electrocatalysis. The PhD project aims to use state-of-the-art quantum simulation techniques, Density-Functional-Theory (DFT), Ab Initio Molecular Dynamics (AIMD), and Machine Learning (ML) tools to develop theoretical electrocatalytic frameworks. Hereby, the project will challenge existing research on catalysis, move the boundary of fundamental catalysis, and approach the next generation of selective renewable reactions.
You will join the newly established Computational Catalysis group  led by Ass. Prof Alexander Bagger at the Technical University of Denmark (DTU) located at the outskirts of Copenhagen. The Computational Catalysis group has a long-term goal to develop predictive models and schemes of new reactions and materials in close connection with experiments. Typical work is highly collaborative, internally within experimental groups at DTU and externally with other leading universities. The group is part of the Catalysis Theory Center (CatTheory) which spans two departments at DTU, the Department of Physics, and the Department of Energy Conversion and Storage. CatTheory provides a strong infrastructure and computational facility.
Responsibilities and qualifications
The successful candidate must have a MSc in physics, chemistry, chemical engineering, materials science or related areas as well as experience in the general area of catalysis for sustainable energy solutions. The candidate must display good communication skills in English, both written and spoken, be innovative and able to work both independently and in cross-disciplinary teams, as well as with international academic collaborators and industrial partners.
Successful candidates must document:

  • A background and interest in catalysis for fundamental understanding
  • A background and interest in electrocatalysis and applications in sustainable energy conversion
  • Python programming skills and knowledge of density functional theory codes 
  • Preferably a track record of academic cross-disciplinary collaboration
  • Preferable knowledge of statistical and machine learning methods 

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.
You will be assessed against the responsibilities and qualifications stated above and the following general criteria:

  • Catalysis experience
  • Python programming experience.
  • Communication skills

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 terms of employment
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.
Further information
Further information may be obtained from Asst. Professor Alexander Bagger ([email protected] ).
You can read more about DTU Physics at www.fysik.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 15 August 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 online", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

  • Application/Cover Letter (1 page)
  • CV (2 pages)
  • Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

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.
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 vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 13,400 students and 5,800 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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Job Info
  • Job Identification 3675
  • Job Category Phd
  • Posting Date 06/13/2024, 09:34 AM
  • Apply Before 08/15/2024, 05:59 PM
  • Locations Fysikvej, Kgs. Lyngby, 2800, DK



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    Fysikvej, Kgs. Lyngby, 2800, DK

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