PhD scholarship in generative molecular dynamics modelling of ion transport in designed proteins and peptides - BRIGHT

This PhD project is part of a BRIGHT programme developing a general platform for the design of protein- and peptide-based biomaterials, with solid-state battery components as its first testbed. Our goal is to replace fluorinated PFAS polymers with de novo designed proteins and peptides. 

You will predict the long-timescale behaviour of our designed proteins and peptides with generative molecular dynamics models, focusing on the conformational persistence and ion transport of designed proteins and peptides. Because the model is fast, you will be able to screen large numbers of candidates and rank them for experimental testing. You will work with a talented team of scientists across the dry and wet labs for the experimental validation of the computational platform.

Responsibilities and qualifications

Responsibilities:

• Use and extend generative molecular dynamics surrogate to predict the dynamics of designed proteins and peptides (e.g., PLaTITO)
• Predict conformational persistence and long timescale behaviour relevant to solid-state ion transport and interphase stability
• Screen large candidate libraries at high throughput and rank sequences for experimental validation
• Improve the model for under-represented systems such as cross-linked or non-canonical proteins and peptides
• Report your research results in peer-reviewed scientific publications and international conferences
• Collaborate within the research group and our local, national and international networks
• Disseminate your results through public engagement and social media
• Teach and supervise MSc and BSc students as well as research assistants

Qualifications:

• MSc in machine learning, computational physics or chemistry, computer science or a related area
• Strong programming skills in Python
• Excellent English proficiency in written and oral form
• Excellent communication and social skills for working within an interdisciplinary research team
• Strong analytical skills and ability to work independently

Preferred qualifications but not mandatory:

• Experience with deep learning frameworks such as PyTorch
• Experience with molecular dynamics or generative models
• Interest in applying machine learning to molecular systems
• Familiarity with non-canonical amino acid chemistry

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.

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 appointment terms 
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. Please see DTU’s salary structure for scientific staff: www.inside.dtu.dk/en/human-resources/during-employment/salary/salary-structures

The starting date is 1 March 2027 (or according to mutual agreement). The position is a full-time position. The period of employment is 3 years.

You can read more about career paths at DTU here.

Further information 
Further information may be obtained from Carlos Acevedo-Rocha: cargac@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. 

You can read more about BRIGHT at https://bright.dtu.dk/

Application procedure 
Your complete online application must be submitted no later than 15 December 2026 (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:

• A letter motivating the application (cover letter)
• Curriculum vitae 
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale
• One letter of reference, with referee’s email and phone number

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. 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.

BRIGHT Mission 1: Biomaterials
This position is part of BRIGHT's mission-oriented Novel Biomanufacturing-Enabled Materials research programme, referred to as Mission 1A, which aims to create new classes of PFAS-free biomaterials through biotechnology. The mission's current focus are proteinaceous materials with defined composition, programmable chemistry and controlled assembly as sustainable alternatives to persistent, fluorinated materials. The scientific scope spans AI-guided protein and peptide design, microbial engineering, non-canonical amino acid biosynthesis and incorporation, cell-free prototyping, fermentation, purification, materials processing, analytical quality control and structure-function characterization. The programme focuses on building an integrated pipeline from molecular design to scalable biomanufacturing and material testing, with explicit attention to manufacturability, cost, sustainability and industrial translation. Batteries provide the first proof-of-concept application, because PFAS-containing materials are currently used in several battery components and because this sector imposes strict requirements for stability, processability and performance. The broader ambition is to establish a versatile biomanufacturing platform for advanced PFAS-free materials with future relevance across energy technologies, coatings, electronics and other high-value applications.

BRIGHT – The Novo Nordisk Foundation Biotechnology Research Institute for the Green Transition
The Novo Nordisk Foundation Biotechnology Research Institute for the Green Transition (BRIGHT) is a major initiative based at DTU that aims to accelerate the development of biosolutions and strengthen the bio-based economy. BRIGHT serves as a hub for academic and industrial partners working together to unlock the potential of bioproduction. BRIGHT focuses on three main areas: Sustainable materials (Developing bio-based alternatives to fossil-derived materials), Microbial foods (Innovating food production through microbial technologies), and Microorganisms for net-zero agriculture (Creating solutions to reduce greenhouse gas emissions in agriculture). The goal is to develop and scale innovative biosolutions within these areas, ultimately creating sustainable and competitive alternatives to fossil-based products and processes that can make significant contributions to reducing global greenhouse gas emissions.

DTU – For the benefit of society since 1829
DTU is one of Europe's 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 Europe's 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 13,800 students, 1,600 PhD students, and 6,500 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.