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Frank Jensen

7 months ago

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

Degree Level

PhD

Field of study

Computer Science

Funding

The positions are PhD fellowships/scholarships at the Graduate School of Natural Sciences, Aarhus University. Funding details are not explicitly stated, but these are standard funded PhD positions in Denmark, typically including salary and tuition coverage.

Deadline

Expired

Country flag

Country

Denmark

University

Aarhus University

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Keywords

Computer Science
Chemistry
Quantum Chemistry
Computational Chemistry
Quantum Computing
Programming Language
Force Field
Physics

About this position

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.

Funding details

The positions are PhD fellowships/scholarships at the Graduate School of Natural Sciences, Aarhus University. Funding details are not explicitly stated, but these are standard funded PhD positions in Denmark, typically including salary and tuition coverage.

What's required

Applicants should hold a Master’s degree or have completed at least one year of a Master’s program in computational chemistry, quantum chemistry, quantum physics, quantum computing, or a closely related discipline. Strong programming experience is highly desirable, and applicants should specify their proficiency in relevant programming languages and the extent of their experience. Candidates must clearly argue for their competences in mathematically and methodologically intensive areas. Applicants with only applied computational chemistry background and no theory/software competences will not be successful. A motivation letter is required, prioritizing interests in the three research topics.

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Professors

Professor

University Name
Country flag

Denmark

Research Interests

Physical Chemistry

Condensed Matter Physics

Molecular Physics

Ultrafast Spectroscopy

Computational Chemistry

Professor

University Name
Country flag

Denmark

Research Interests

Quantum Mechanics

Quantum Physics

Molecular Physics

Computational Chemistry

Density Functional Theory