PhD scholarship in Theoretical Chemical Dynamics

Are you passionate about chemical theory and computation? Are you interested in the real-time (atto- to picosecond) dynamic changes in molecules when they undergo physical and chemical transformations? Are you curious about the interplay with the environment? Do you want to interpret and design time-resolved experiments?

If you would like to dive into the multifaceted field of theoretical chemistry and you want to have a strong influence on the topic of your PhD project for fulfilling your dreams and ambitions, this open position within the field of theoretical chemical dynamics might be the perfect fit for you.  

Responsibilities and qualifications
The focus of this position is to describe via theory and computation how molecular systems behave on the fundamental level at the ultrafast timescale (atto- to picosecond), and how this behavior is observed in pump-probe experiments. The topic of the project will be decided between you and the supervisors, depending on your preferences and qualifications. Possible topics are: The theory of ultrafast pump-probe experiments (e.g., time-resolved X-ray scattering and spectroscopy), simulations and data processing of actual ultrafast experiments, mapping charge and energy transfer in molecular (and mesoscopic) systems, behavior of molecules in strong fields, dynamics of open quantum systems, and more. 

This project offers an excellent opportunity to work in various areas of theoretical and computational chemistry such as quantum and semi-classical theory of molecules, electronic excited-state dynamics and relaxation, materials and light, statistical mechanics, reaction kinetics and dynamics, and theory/simulation of ultrafast time-resolved experiments.

You will be a part of the Physical Chemistry section at DTU Chemistry ), supervised by Professor Klaus Braagaard Møller ). Through co-supervision and collaboration, you will also be an integral part of the chemical dynamics environment that spans several groups and departments at DTU. During the project you will have a secondment abroad in the group of one of our international colleagues, e.g., Irene Burghardt in Frankfurt or Adam Kirrander in Oxford or elsewhere, to support the project.     

Successful candidates must document:

• Strong background and interest in theoretical and computational chemistry/molecular physics
• Excellent analytic, mathematical, and programming skills
• Experience with electronic structure calculations incl. excited electronic states 
• Experience with one or more of the following theories/methods:

wave-packet quantum dynamics (e.g., AIMS or MCTDH programs) 

mixed quantum-classical dynamics, such as non-adiabatic MD (e.g., SHARC program) 

density-matrix and master-equation formulation of open-system dynamics (e.g., Lindblad, Redfield, and HEOM approaches) 

You will be assessed against the responsibilities and qualifications stated above and the following general criteria:

• Ability for thinking and working independently
• Desire for discussing science and driving a scientific project
• Communication skills both in both spoken and written English

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 in theoretical chemistry and/or theoretical physics.

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 programmes 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 an evaluation committee led by Professor Klaus Braagaard Møller

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 according to mutual agreement.

You can read more about career paths at DTU here.

Further information 
Further information may be obtained from Professor Klaus Braagaard Møller ).

You can read more about DTU Chemistry at  

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 22 January :59 Danish time). Applications are assessed on an ongoing basis.

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
• A statement of your research interests and ideas within the scope of this position

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.

Technology for people
DTU develops technology for people. With our international elite research and study programs, 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.