PhD Position Physics-Based Modeling of Pharmaceutical Formulations

A PhD position in computational pharmaceutical science is available at the Department of Physics Chemistry and Pharmacy (FKF)at the University of Southern Denmark (SDU). The project is funded by the Center for Pharmaceutical Data Science Education (CPDSE) and will be conducted under the supervision of Associate Professor Casper Steinmann.

The project concerns physics-based computational modeling of pharmaceutical formulations and molecular recognition processes relevant to drug delivery systems. The work focuses on molecular binding phenomena such as hostguest inclusion complexes and drugexcipient interactions that determine formulation stability and performance. The research will employ atomistic molecular modeling grounded in statistical mechanics to investigate binding thermodynamics and molecular interactions in formulation environments.

The position contributes to the development of pharmaceutical data science integrating computational chemistry molecular modeling and quantitative analysis to strengthen data-driven approaches in pharmaceutical and chemical research. The project forms part of CPDSEs broader effort to advance computational and data-scientific methodologies within pharmaceutical science.

Project background
Modern pharmaceutical formulations frequently depend on complex molecular interactions between active pharmaceutical ingredients and excipients polymers or supramolecular host systems. Predictive understanding of these interactions is essential for rational formulation design but reliable theoretical models for these systems remain underdeveloped.

This PhD project will develop and evaluate physics-based computational models capable of describing molecular binding and thermodynamic behavior in pharmaceutical formulations. The research will examine the predictive accuracy of molecular simulation approaches for drugexcipient interactions and related hostguest inclusion systems with particular emphasis on the statistical-mechanical foundations required for reliable thermodynamic predictions.

The project will contribute to establishing computational methodologies for studying formulation systems at the molecular scale and to strengthening the integration of computational modeling and pharmaceutical data science. Applicants are expected to propose a potential research direction within the overall theme of computational pharmaceutical science. The final project scope will be defined in dialogue with the supervisor.

Qualifications
We are seeking a candidate with a strong computational and theoretical background and an interest in applying physics-based modeling to problems in pharmaceutical science. Applicants must hold a . degree in chemistry physics computational chemistry pharmaceutical sciences or a closely related discipline.

The candidate should have solid quantitative training in statistical mechanics and thermodynamics and demonstrated experience applying these principles in computational modeling of molecular systems. Applicants must also have practical experience with computational scientific workflows.

• Experience with scientific programming (Python or similar)
• Experience working in Linux-based computational environments
• Documented experience with high-performance computing (HPC) systems
• Background in statistical mechanics thermodynamics and molecular modeling

The candidate must be independent and fluent in English both oral and written.
For further information about the position please contact Associate Professor Casper Steinmann ()
To read more about the PhD program at the Department of Physics Chemistry and Pharmacyread more here.
Starting date: 1 September 2026

Natural Science Research Interdisciplinary Strength
The Department of Physics Chemistry and Pharmacyis one of four departments at the Faculty of Science SDU and is located in Odense. At the Department we contribute to solving some of societys greatest challenges within energy environment health and sustainability. We succeed because we build bridges between disciplines and transcend traditional boundaries. Our interdisciplinary mindset is not only a fundamental condition but also our strength. And it is a strength that ensures our research and education are recognized both nationally and internationally.

Our vision is to create and apply knowledge across the natural sciences. We are unique in housing research within physics chemistry and pharmacy under one department which provides excellent opportunities to explore the intersections between these disciplines.Read more about our vision here.

Application salary etc.
Appointment as a PhD Research Fellow is for three years. Employment stops automatically at the end of the period.(the 5 plus 3 programme).
Further information about the PhD programme at the Faculty of Science can be found at thehomepage of the University.

The University wishes our staff to reflect the diversity of society and thus welcomes applications from all qualified candidates regardless of personal background.

Application must be in English and made in the form of a Declaration of Interest including the following:

• A letter stating your specific interest motivation and qualifications for the project in question (max. two pages) .
• Detailed CV including personal contact information anddate entries
• Copies of diplomas Bachelor as well as Masters degree including transcript of notes/grades.
• The names and complete contact details (phone numbers and e-mail) of at least two referees details for at least 2 referees who can vouch for your skills.
• Short research proposal (maximum two pages) outlining a possible PhD research direction within computational pharmaceutical science. The proposal should demonstrate the applicants ability to formulate a scientifically sound research problem within the general theme of molecular modeling of pharmaceutical systems.

Shortlisting may be used in the assessment process.Incomplete applications and applications received after the deadline will neither be considered nor also applies to reference letters.

Applications will be assessed by an expert assessor/committee. Applicants will be informed of their assessment by the university.

Applications should be sent electronically via the link Apply now. The faculty expects applicants to read the information How to apply for a position at SDU before applying. Please note that the application documents should be in pdf-format and attached as three documents: motivation letter CV and the remaining documents.

We recommend that as an international applicant you take the time to visitWork in Denmarkwhere you will find information and facts about moving to working and living in Denmark as well asthe International Staff Office at SDU.