Scientific Software Developer – FAIR and Interoperable Workflows for Accelerated Materials Discovery DTU Energy

The Department of Energy Conversion and Storage (DTU Energy) the Section for Autonomous Materials Discovery and the Pioneer Center for Accelerating P2X Materials Discovery (CAPeX) invite applications for a position as Scientific Software Developer (SSD) in the field of digitalizing materials discovery and development of FAIR and interoperable workflows. DTU Energy is focusing on accelerating the discovery and development of new materials and technologies for energy conversion and storage e.g. fuel and solar cells batteries membranes magnetic refrigeration and thermoelectrics electrolysis and sustainable synthetic fuels and chemicals.

The job
Youwill support DTU Energy in ensuring that modern digital concepts shape future materials research and discovery including the participation in large-scale digitalization initiatives at the national and international level such as CAPeX and the MaterialsCommons activities () where you will collaborate closely with European partners. Here you will design and operate federated interoperable and FAIR workflows that connect selfdriving laboratories (SDLs) computational pipelines and AI tools across partners making data tools and processes machineactionable and reusable.

The tasks of the Scientific Software Developer include:

• Positioning DTU as an institution that plays a pioneering role in the development of guidelines for handling research data in materials science and engineering and utilize AI-tools for accelerated materials discovery
• Integrating industrial requirements (e.g. digital product passport) into the materials science workflow
• Advancing and advising on digital solutions for tasks related to the technical safety of products and processes
• Providing impetus for existing and initiating new third-party funded research projects and research collaborations
• Coordination preparation execution and reporting of project events workshops and tutorials

Our expectations of you
We are looking for a scientific software developer who can translate FAIR/semantic concepts into robust usable software.

You should have:

• An MSc or PhDdegree in computer science materials science physics or chemistry (or similar related field)
• Proficiency in Python and modern software engineering (testing CI/CD packaging Git).
• Handson experience with one or more workflow systems (e.g. AiiDA pyiron Apache Airflow SimStack PerQueue) and containerization (Docker/Conda).
• Working knowledge of FAIR and linkeddata technologies (e.g. JSONLD/RDF) and willingness to work with domain ontologies (e.g. EMMO/PMDco).
• Solid knowledge in the field of computer simulations for materials physics/chemistry and materials science issues
• Excellent English communication skills and an ability to collaborate across disciplines and institutions.

You should preferably also have:

• Experience with databases building APIs/data pipelines and integrating with ELNs and/or instruments.
• Experience with artificial intelligence and machine learning
• Problem-solving skills and an entrepreneurial attitude with a go-to attitude
• Ability to work independently and to plan and carry out complicated tasks.
• Ability to be a part of a dynamical multi-disciplinary department and network with project partners and international collaborators.

What we offer in return
You will join the Section for Autonomous Materials Discovery at DTU Energy and work closely with the CAPeX Pioneer Center. We offer a collaborative environment that spans computational and experimental materials science AI/ML and robotics with access to European partners largescale facilities and HPC. Your software will help shape an EUwide federated infrastructure (MaterialsCommons).

Section for Autonomous Materials Discovery
The section for Autonomous Materials Discovery focuses on developing methods tools and hardware that accelerate the pace of material discovery for energy conversion and storage applications. You will work with around 25 colleagues with diverse backgrounds in computational and experimental science machine learning and artificial intelligence. We work with our colleagues across the department on various projects related to sustainable energy materials.

The Pioneer Center for Accelerating P2X Materials Discovery
The Pioneer Center unites leading Power2X experts from five Danish and three international universities in conducting fundamental strategic research and delivering transformative breakthroughs across scientific disciplines methods and sustainable and scalable materials discovery and development. By building upon recent advances in complementary fields like computational materials design operando characterization and scalable materials synthesis as well as autonomous robotics digital twins AI and machine learning CAPeX will reinvent how we invent new sustainable materials for Power2X ().

Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations (AC). The salary will be agreed upon with the relevant union.

The starting date is as soon as possible according to mutual agreement.

The workplace is DTU Lyngby Campus North of Copenhagen and the employment is a permanent full-time position (37 hours per week.

Application and contact
Please submit your online application no later than 1 May 2026. Open the Apply now link fill out the form and attach in one PDF file containing all this material.

• Your motivated application
• Your CV
• Exam certificates.

If you would like additional information about the position please contact the Director of CAPeX Prof. Tejs Vegge ator Head of Section Prof. Ivano Castelli.

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. As DTU works with research in critical technology which is subject to special rules for security and export control open-source background checks may be conducted on qualified candidates for the position.

The Department of Energy Conversion and Storage (DTU Energy)focuses on research and development of functional materials components and systems for sustainable energy technologies. The technologies include fuel cells electrolysis power-to-x batteries and carbon capture. The research is based on strong competences on electrochemistry atomic scale and multi-physics modelling autonomous materials discovery materials processing and structural analyses. We also focus on educatingengineering students at all levels ranging from BSc MSc PhD to lifelong learning students. We have about 300 dedicated employees. Read more about us at.

DTU For the benefit of society since 1829
DTU is one of Europes leading elite technical universities. Through research and education at an international top level we create solutions to the major societal challenges of our time and help secure Europes global leadership in sustainable technological development. Since Hans Christian Ørsted founded DTU almost 200 years ago our mission has remained the same: We develop and create value through the natural and technical sciences for the benefit of society. DTU has 13800 students 1600 PhD students and 6500 employees. We work in an international environment and have an inclusive stimulating and informal work culture. DTU has campuses in all parts of Denmark and in Greenland and collaborates with the best universities around the world.