Postdoc position in ‘physics-based simulations, deep learning and generative AI for inverse battery materials design’ - DTU Energy

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Postdoc position in ‘physics-based simulations, deep learning and generative AI for inverse battery materials design’ - DTU Energy
Kgs. Lyngby, Denmark
Job Description

The Section for Autonomous Materials Discovery at DTU Energy is looking for outstanding candidates for two 2-year postdoc positions in density functional theory simulation and applied deep learning for battery materials discovery. The research position in part of the project “Data driven quest for TWh scalable Na-ion battery (TeraBatt)”. TeraBatt intends to pioneer a multi-objective generative inverse design for solid-state battery materials with the right properties by exploring a practically infinite chemical-structural phase space. 

Project description
The successful candidate will (a) Perform density functional theory simulations for evaluating electronic, thermodynamic, and kinetic properties of Na-ion cathodes (b) Train and deploy equivariant graph neural network models as surrogate simulators using local and European GPU HPCs at an unprecedented scale for screening across broad chemical space (c) Utilize in-house 3D graph representation based reinforcement learning methods for solving disordered crystal structures (d) Develop, train and deploy periodic graph generative models for property conditioned inverse design of disordered, defective battery materials. 

Necessary software engineering will be done for scalability and distributed trainability. This will allow us to generate petabytes of data over entire phase spaces of materials, allowing data-driven breakthrough science.

The project will be carried out in close collaboration with external partner groups that are considered the world’s leading materials simulation and deep learning method development groups. The activities are linked to other ongoing projects in the Section working on clean energy materials and machine learning for accelerated materials discovery. 

Qualifications
Candidates should hold a PhD or equivalent degree in computer science, physics, chemistry or materials science. The candidates must have a strong background in computational chemistry, physics or materials science and/or machine learning, and are expected to have performed original scientific research within the relevant fields listed above for the specific position. Moreover, the successful candidate:

• is innovative and able to work both independently and in cross-disciplinary teams 
• has good communication skills in English, both written and spoken
• is able to work independently and take responsibility for the progress and quality of projects. 

Assessment
The assessment of the applicants will be made by the head of the Section, Professor Juan Maria Garcia Lastra, and Associate Professor Arghya Bhowmik.

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 appointments will be for two years and be based on the collective agreement with the Confederation of Professional Associations. The allowance will be agreed with the relevant union.

The employment is expected to start May 1st , 2024, or shortly after that.

The position is for two years.

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

Application
We must have your online application by 28 February 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:

• Application (cover letter)
• CV
• Academic Diplomas (MSc/PhD – in English)
• List of publications indicating scientific highlights
• List of References (at least two) 

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

DTU Energy
The Department of Energy Conversion and Storage is focused on education, research, and development within functional materials and their application in sustainable energy technologies. The Department 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, thermo electrics, sustainable synthetic fuels, and batteries. 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.

Apply Now
Job Info

• Job Identification 3128
• Job Category VIP B
• Posting Date 02/06/2024, 02:14 AM
• Apply Before 02/28/2024, 05:59 PM
• Locations Fysikvej , Kgs. Lyngby, 2800, DK

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