PhD Position in Deep Generative Models for Inverse Design of Solid Electrolytes

The Section for Atomic Scale Materials Modelling at DTU Energy is looking for outstanding candidates for a PhD position in machine learning (ML) applied to energy materials discovery. The research positions are part of an ambitious research project between DTU and University of Queensland. In this project, we will develop a density functional theory (DFT) and deep learning combined framework for the inverse design of highly conductive solid-state battery electrolytes.

Responsibilities and qualifications

You will develop and apply a workflow that performs hierarchical search with DFT and ML (specifically equivariant graph neural networks) within an immensely large phase space to perform data-driven design of highly conductive disordered lithium-yttrium halides (DLYH)  and argyrodite solid-state electrolytes for Li-ion batteries.

This project will be linked with other PhD and postdoc projects within the section working on inverse design of energy materials and run in parallel to a PhD project at the University of Queensland. 

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 have obtained excellent grades in his/her Bachelor’s and Master’s educations. A solid background in machine learning modeling and software development and knowledge of molecular and materials science through university-level courses or project work is preferred. Furthermore, the candidate should be highly motivated and willing to work in a team. Good communication skills in both spoken and written English are a requirement.  

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.

You can read more about career paths at DTU here .

The employment is expected to start January 1st , 2023 or soon thereafter.

Further information

If you need further information concerning these positions, please contact Juan Maria Garcia Lastra at [email protected]  or Arghya Bhowmik at [email protected] .

Please do not send applications to these e-mail addresses; instead, apply online as described below.

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

Please submit your online application no later than 13November 2022 (Danish time).

To view the full announcement and to apply: please click Apply button.