Industrial PhD student in Data-Driven Life Sciences

Are you passionate about applying computational approaches to solve problems within chemistry and biology? We are now looking for an Industrial PhD student in Data-Driven Life Sciences to work on a computational drug metabolism project in collaboration with AstraZeneca and Chalmers University of Technology, funded through the Wallenberg National Program for Data-Driven Life Science (DDLS).

Chalmers University of Technology conducts research and offers education in technology, science, architecture, and maritime engineering. Chalmers is known for its multidisciplinary collaborations and strong innovation culture. The Department of Computer Science and Engineering (CSE) is a joint department between Chalmers and the University of Gothenburg. The AI Laboratory for Molecular Engineering (AIME), led by Dr. Rocío Mercado Oropeza, applies machine learning to molecular engineering problems in life sciences and drug discovery, and is based in the Division for Data Science and AI within the CSE Department.

AstraZeneca is a global, science-led biopharmaceutical company (www.astrazeneca.com). At our Gothenburg R&D site, we bring together over 2,400 employees from more than 70 countries to deliver innovative medicines. The Medicinal Chemistry and DMPK departments within AstraZeneca’s Early Cardiovascular, Renal and Metabolism (eCVRM) therapeutic area are leading efforts in the design of new chemical entities and understanding their pharmacokinetic properties including how the compounds are metabolized to ensure safe and effective drug development.

Data-driven life science (DDLS) uses data, computational methods and artificial intelligence to study biological systems and processes at all levels, from molecular structures and cellular processes to human health and global ecosystems. The SciLifeLab and Wallenberg National Program for Data- Driven Life Science (DDLS) aims to recruit and train the next generation of data-driven life scientists and to create globally leading computational and data science capabilities in Sweden. The program is funded with a total of 3.7 billion SEK (about 290 MUSD) over 12 years from the Knut and Alice Wallenberg (KAW) Foundation. In 2025 the DDLS Research School will be expanded with the recruitment of 19 academic and 7 industrial PhD students. During the course of the DDLS program more than 260 PhD students and 200 postdocs will be part of the Research School. The DDLS program has four strategic research areas: cell and molecular biology, evolution and biodiversity, precision medicine and diagnostics, epidemiology and biology of infection. For more information, please see https://www.scilifelab.se/data-driven/ddls-research-school/

The future of life science is data-driven. Will you be part of that change? Then join us in this unique Program!

The research group: The PhD student will be based primarily at AstraZeneca, Gothenburg, with the possibility to spend part of their time at Chalmers University of Technology. At Chalmers, the student will be a part of the AIME research group, which focuses on applying AI and machine learning to molecular design challenges.

This position is one of several industrial PhD roles funded by the DDLS program, which supports training in four strategic areas: cell and molecular biology, evolution and biodiversity, precision medicine and diagnostics, and epidemiology and biology of infection. Together, we are announcing this position for a DDLS PhD student to join our teams, working in data-driven cell and molecular biology. Data-driven cell and molecular biology covers research that fundamentally transforms our knowledge about how cells function by peering into their molecular components in time and space, from single molecules to native tissue environments.

The project: The industrial PhD student will develop AI and machine learning models to predict drug metabolism, a critical area influencing drug efficacy and safety. The project addresses a major bottleneck in drug discovery—metabolite identification, which is traditionally time- and resource-intensive. By leveraging deep learning, generative AI, and molecular modeling, the student will contribute to creating faster, more accurate predictive tools.

The student will work closely with Dr. Filip Miljković (Associate Principal AI Scientist) and Dr. Susanne Winiwarter (Principal Scientist) at AstraZeneca, and Dr. Rocío Mercado Oropeza (Assistant Professor) at Chalmers, within a cross-functional and dynamic research environment. This is a unique opportunity to shape the future of data-driven drug discovery at the intersection of computational chemistry, AI, and systems biology.

Focus areas of the position:

• Computational Chemistry

• Drug Metabolism and Pharmacokinetics (DMPK)

• Machine Learning and Deep Learning

• Generative AI

• Molecular Modeling

Essential skills/experience

• We welcome applications from highly motivated candidates with a Master of Science degree (or equivalent, 240 ECTS) in Computer Science, Chemistry, Life Sciences, or a related field.

• Strong programming skills in Python

• Understanding of basic chemistry and biology concepts

• Experience in deep learning frameworks

• Excellent communication skills in English (oral and written)

Desirable skills/experience

• Experience in generative AI or molecular modeling

• Prior research or industrial exposure

• Ability to work in a multidisciplinary and collaborative environment

How to apply: The application, written in English, is submitted through the application portal of AstraZeneca and should include:

• Cover letter stating your motivation and relevant qualifications

• CV including academic achievements, technical skills, and at least two references

• Copies of certificates, degrees, grades, and (if applicable) TOEFL test results

Pay: According to local agreement

Start date: 2025-09-01 or otherwise agreed.

Type of employment: Temporary position, 4 years

Working hours: 100%

If you’re excited by the possibility of joining a program that merges AI and pharmaceutical innovation, apply no later than April 24, 2025. We look forward to your application!

More information:

https://www.astrazeneca.com/our-science/gothenburg.html
https://www.chalmers.se/en/

https://www.scilifelab.se/data-driven/ddls-research-school/

AstraZeneca embraces diversity and equality of opportunity. We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills. We believe that the more inclusive we are, the better our work will be. We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics. We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorization and employment eligibility verification requirements.