Ulf Ryde

Open industrial PhD student position in Machine Learning and Drug Design in Molecular AI , offered in collaboration with AstraZeneca and KTH and associated with Lund University . This opportunity is aimed at a PhD-level candidate interested in the intersection of chemistry , computer science , machine learning , drug design , and molecular AI . The post is shared by Ulf Ryde , Professor in Theoretical Chemistry at Lund University. No deadline, funding amount, or detailed eligibility criteria are stated in the post. The position is described as an industrial PhD student opening, so applicants should expect a research-focused doctoral role with an industry-academic collaboration. To apply, use the LinkedIn job link provided in the post and follow the employer's application instructions on the job page.

Doctoral student position in machine learning and computational chemistry at Lund University , in collaboration with AstraZeneca and Uppsala University . The project focuses on binding affinity prediction for small molecules in drug design, combining physics-based methods and modern machine learning. Research topics include MM/PBSA , free-energy perturbation , SQM 2.20 , fragment molecular orbital calculations , molecular modelling, quantum mechanics, statistical mechanics, and data-driven model development for prioritising drug candidates from hit discovery to lead optimisation. The host environment is the Division of Computational Chemistry and the Computational Biochemistry group , which works across quantum chemistry, statistical mechanics, machine learning, biochemistry, medicinal chemistry, and structural biology. The project is tightly linked to Molecular AI at AstraZeneca and the Department of Pharmaceutical Biosciences at Uppsala University. Eligibility highlights: applicants should have an MSc in computational chemistry, bioinformatics, machine learning, computer science, mathematics, statistics, physics, or a related discipline. Required skills include Python/programming, independent research ability, strong communication skills, good English, and a collaborative mindset. Preferred experience includes machine learning for scientific problems, molecular dynamics, molecular mechanics, quantum mechanics, binding affinity prediction, HPC, workflow tools, automation, and collaborative software development. This is a full-time fixed-term doctoral studentship starting 2026-09-01 or as agreed. The employment is for 4 years full time, with extension possible for teaching and departmental duties. The post is based in Lund, Sweden . Application materials must be in English and include a CV, cover letter, degree/study certificates, and any additional supporting documents such as transcripts, references, or recommendation letters. Deadline: 2026-04-26 .

PhD opportunity in Computational Chemistry at Lund University in Sweden, focused on machine learning , binding affinity prediction , and drug discovery . The project is based in the Division of Computational Chemistry and the Computational Biochemistry group , working with quantum chemistry, statistical mechanics, biochemistry, medicinal chemistry, and structural biology. The doctoral project aims to develop physics-informed machine-learning models for predicting the binding affinity of small molecules to biological macromolecules. The work starts from physics-based approaches such as MM/PBSA , free-energy perturbation , SQM 2.20 , and fragment molecular orbital calculations , then uses modern ML methods to improve predictions and identify the physical information most relevant to binding. The project involves close collaboration with Molecular AI at AstraZeneca and the Department of Pharmaceutical Biosciences at Uppsala University . The post is a full-time fixed-term doctoral employment starting 2026-09-01 or as agreed. The employment is for 4 years , with possible extension for teaching and other departmental duties (up to 20%). Eligibility includes a second-cycle qualification and a relevant background such as Computational Chemistry , Bioinformatics , Machine Learning , Computer Science , Mathematics , Statistics , Physics , or a related discipline. Required skills include Python programming , independent research ability, strong communication skills, good English, and a collaborative mindset. Preferred experience includes machine learning for scientific problems, molecular modelling, molecular mechanics/dynamics, quantum mechanics, binding affinity prediction, HPC, workflow automation, and collaborative software development. Applications must be written in English and include a CV , cover letter , degree/study certificates proving eligibility, and any additional documents such as transcripts, references, or recommendation letters. Apply via the Varbi portal before the deadline. Deadline: 2026-04-26