PhD scholarship in Theoretical Chemistry: Molecular Quantum Technology and Optical Deracemization - DTU Chemistry

If you are passionate about theoretical chemistry/physics and curious about its potential application to molecular quantum technology, this is the position for you at DTU Chemistry in the group of Niels Engholm Henriksen (https://www.kemi.dtu.dk/english/research/physical-chemistry). You must have a solid foundation and interests in quantum chemistry, applied mathematics, programming, and computer simulations.

The focus of the project (funded by the Danish Council for Independent Research) is to explore the interaction between optimally controlled coherent (laser) light fields and molecules. The specific aim is to investigate the possibility of deracemization of racemic mixtures of enantiomeric pairs of molecules, which requires a delicate stereoselective interaction. 

The methods include quantum chemical descriptions of molecules, including potential energy surfaces for nuclear motion. The nuclear motion induced by laser fields is described on the femtosecond timescale via the time-dependent Schrödinger equation. The laser fields are optimized for a desired outcome using various optimization techniques.

Our previous work on this topic (see e.g., E.F. Thomas and N.E. Henriksen, J.Phys.Chem.Lett. 8, 2212-2219 (2017) and E.F. Thomas and N.E. Henriksen, J.Chem.Phys.150, 024301 (2019).) only included enantiomeric pairs of molecules separated by small potential energy barriers. The present project will investigate enantiomers that can be isolated at room temperature. You will have extensive freedom to contribute to all aspects of this project.

Responsibilities and qualifications
You will conduct research within the topics described above. You have (or are close to completion of) an MSc in theoretical chemistry, molecular physics, or similar experience. The essential criteria for this position are:

• Research experience in theoretical/computational chemistry from Master’s project
• Experience with electronic-structure calculations, including relevant computer codes
• Ability to write and run computer code
• Ability for thinking and working independently and communicate clearly in English

Ideally, you also fulfill the following criteria:

• Knowledge of quantum dynamics, including relevant computer codes (e.g., MCTDH)
• Knowledge of light-matter interaction

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree. 

Approval and Enrolment 
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programs at DTU. For information about our enrolment requirements and the general planning of the PhD study program, please see DTU's rules for the PhD education. 

Assessment
The assessment of the applicants will be made by prof. Niels Engholm Henriksen.

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and appointment terms 
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. The period of employment is 3 years.

Starting date is 1 May 2026 (or according to mutual agreement). The position is a full-time position.

You can read more about career paths at DTU here.

Further information
Further information may be obtained from prof. Niels Engholm Henriksen neh@kemi.dtu.dk 

You can read more about DTU Chemistry at www.kemi.dtu.dk 

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark. Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU. 

Application procedure 
Your complete online application must be submitted no later than 15 March 2026 (23:59 Danish time). 

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae 
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it.

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

The Department of Chemistry (DTU Chemistry) conducts research, education, and innovation within the main areas of chemistry. This includes basic and applied research within physical, organic, and inorganic chemistry. 

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.