The Department of Energy Conversion and Storage (DTU Energy) and the Sections for Autonomous Materials Discovery (AMD) and Atomic-Scale Materials Simulations (ASM) at the Technical University of Denmark invites applications for a position as Scientific Software Developer (SSD) in the field of Machine Learning-based Apps and APIs for computer-guided accelerated materials discovery.

DTU Energy is focusing on the understanding and development of new materials and technologies for energy conversion and storage, e.g., batteries, membranes, magnetic refrigeration and thermoelectrics, catalysis, electrolysis and Power2X. You can read more about DTU Energy on www.energy.dtu.dk

Responsibilities 
The Scientific Software Developer (SSD) will primarily be responsible for machine learning library development, curation, documentation, and maintenance, with a specific focus on ensuring seamless data interoperability and externalizability of the methods, workflows, apps and APIs developed in the AMD and ASM sections. This could include uncertainty-aware Bayesian optimization and interoperable data infrastructures for use in decentralized materials acceleration platforms (MAPs) and self-driving laboratories (SDL) that intakes experimental/simulation data and suggests the next experiments to run. Other example could include data visualization and autonomous tools for in-depth data and pattern analysis in large multi-sourced dataset, again with a particular focus on making the tools easy to deploy by external users.

The SSD is expected to be part of scientific projects, where software development and analysis is needed, e.g., in externally funded research projects, and may to a lesser degree take part in teaching, student projects and dissemination of research findings.

Qualifications
The Scientific Software Developer is expected to hold a PhD-degree in computer science, physics, chemistry or similar, preferably with subsequent postdoctoral experience, and to display good communication skills in English, both written and spoken. The successful candidate has experience in computational scientific research at the atomic scale, preferably at the density functional theory level, and experience in the development and implementation of machine learning methods. He/she is able to work both independently and in cross-disciplinary teams, as well as with students, guests and external partners. 

What we offer
We offer an interesting and challenging job in an international atmosphere with the focus on research, teaching, and innovation for the benefit of the surrounding community. We place emphasis on a high level of professionalism among our staff, so skills development is an integral part of our organization. We offer a great flexibility in the position. In the area of technical and natural sciences, DTU is one of the leading technical research and education institutions in Europe, and DTU Energy leads several large international initiatives like the large-scale European battery project BIG-MAP (Battery Interface Genome – Materials Acceleration Platform) project, and the Pioneer Center for Accelerating P2X Materials Discovery (CAPeX).

Assessment
In the assessment of the candidates, consideration will be given to:

• an all-round experience in machine software development, implementation and maintenance
• scientific production and research potential in interoperable data infrastructures or machine learning based me
• the ability to contribute to development of novel computational methods
• the ability to support other scientists in their coding, documentation and interfaces.

Salary and appointment terms
The appointment will be based on the collective agreement with the Confederation of Professional Associations. The allowance will be agreed with the relevant union. 

The position is expected to start January 1st, 2024, or shortly thereafter. 

Application and contact
Please submit your online application no later than 14 December 2023.

Apply at: Scientific Software Developer of ML-based Apps and APIs for Computer-guided Accelerated Materials Disocvery

To apply, please open the link “Apply now” fill in the online application form, and attach the following material in English:

• Application (Cover letter) 
• CV 
• Diploma (MSc/PhD) 
• List of publications indicating scientific highlights 

If you would like additional information about the position, please contact Head of Section for Autonomous Materials Discovery and Director of CAPeX, Professor Tejs Vegge, [email protected].

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark. 

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

DTU Energy
It is our vision to be a world-leading cross-disciplinary research department within sustainable technologies for energy conversion and storage and to enable a sustainable society through innovative technology development building on fundamental insights.

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.