PhD Positions in Quantum-Enhanced Computational Chemistry for Drug Discovery at Aarhus University Aarhus University in Denmark

Applications are invited for PhD positions in Quantum-Enhanced Computational Chemistry for Drug Discovery at Aarhus University, Denmark. These positions are part of the EarlyBirdd collaborative project involving Kvantify, Atom Computing, and the research groups of Professors Frank Jensen and Ove Christiansen at the Department of Chemistry. The research aims to develop advanced computational tools for drug design, integrating conventional methods with quantum computing methodologies.

Possible research directions include: (1) development and implementation of high-accuracy ab-initio derived force fields for molecular systems, (2) development of Gaussian Process Regression methods to enhance potential energy surface accuracy and efficiency, and (3) methods for computing quantum free energies and entropic contributions to reactions using quantum statistical mechanics. The work is rooted in computational and quantum chemistry, with a focus on future quantum computational algorithms.

Candidates should have a strong background in theoretical/computational chemistry, quantum chemistry, quantum physics, quantum computing, or closely related fields. Programming experience is highly desirable. Applicants must provide a motivation letter and prioritize their research interests among the three topics. The research environment is collaborative and supportive, with access to shared facilities and interaction with multiple PIs and students.

The positions are funded PhD fellowships at the Graduate School of Natural Sciences, Aarhus University. The application deadline is 1 May 2026, with the online system opening on 1 March 2026. For more information, contact Professors Frank Jensen ([email protected]) or Ove Christiansen ([email protected]). Apply online by selecting the Chemistry programme and uploading the required documents as per the application guide.