Technical University of Denmark (DTU)

Postdoc in Modeling and Computer Simulations

Technical University of Denmark (DTU)

2800 Kgs. Lyngby, Denmark

A postdoc position (20 months) is available at the Department of Chemistry, Technical University of Denmark, within the area of computational protein modeling.

Responsibilities and tasks
The proposed project will focus on predicting formulation-relevant properties of biological therapeutics, including physical stability, solubility, and rheology. Biological therapeutics are revolutionizing e.g. cancer and diabetes treatment and are seeing tremendous growth. But delivery is limiting their use and no industrial tools exist for modeling their delivery-critical properties.

DTU Chemistry has led the EU ITN PIPPI research project, focused on obtaining formulation-relevant properties of biological therapeutics through extensive, accurate and consistent experimentation in state-of-the art labs combined with advanced modeling. Leveraging this knowledge and existing state-of-the-art, the goal of the proposed project is to explore, test and improve models for predicting formulation-relevant properties of biological therapeutics.

A literature study will be performed to map currentstate-of-the-art and select models to test, and add supplementary data to existing ones if necessary. The core of the project will consist of programming and testing a variety of computational approaches (e.g. molecular dynamics (MD) simulation techniques, coarse-graining approaches and machine learning) to identify the best-performing models and document their accuracy. Finally, the best-performing models will be improved, e.g. by combining approaches, introducing new model elements, or by collecting additional data if crucial data gaps are identified.

The project is part of a joint project between DTU Chemistry and industrial partners Hafnium Labs (DK) and PSE (UK), aiming to bring novel computational drug delivery and manufacturing tools to industrial application.

andidates should have a PhD degree in theoretical chemistry, preferably protein modelling, and experience with various approaches such as MD simulation, coarse-graining methods, and data science. The ideal applicant has during his/her PhD shown profound competences in theoretical chemistry and programming as well as the capability to carry out research at the highest international level. Knowledge and some experience with experimental methods will be crucial.

In addition, candidates should be:

  • Excellent in both spoken and written English.
  • Able to work independently towards the research goals.
  • Able to collaborate in a multidisciplinary research environment.

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.

You can read more about career paths at DTU here.

Employment will be from October 15th 2019.

The project is run by the Department of Chemistry at DTU in an industrial collaboration with Hafnium Labs (DK) and PSE (UK).

The period of employment is 20 months.

Further information
Further information may be obtained from Professor Günther H.J. Peters, mail: or Professor Pernille Harris, mail:

You can read more about the Department of Chemistry on

Application procedure:
We must have your online application by 15 October 2019. Apply at

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link “Apply online,” fill in the online application form, and attach all your materials in English in one PDF file. The file must include:
  • Application (cover letter)
  • CV
  • Diploma
  • List of publications

Applications and enclosures 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.

DTU is a technical university providing internationally leading research, education, innovation and scientific advice. Our staff of 6,000 advance science and technology to create innovative solutions that meet the demands of society, and our 11,200 students are being educated to address the technological challenges of the future. DTU is an independent university collaborating globally with business, industry, government and public agencies.

Please apply via recruiter’s website.