Doctoral student in Theoretical Chemistry (PA2022/2130)

University of Lund, Sweden

Updated: almost 2 years ago
Deadline: 01 Jul 2022

Subject description

Research within the area of Theoretical Chemistry entails the development of and/or application of quantum-mechanical and statistical-mechanical systems, and processes. In this project these methods are used to interpret and illuminate observations mainly within the fields of biophysical chemistry and colloidal science.  There is an emphasis on development and use of numerical simulations to mimic and understand neutron and X-ray scattering from biomolecular solutions (details are provided below) which are of relevance to biology and biotechnological applications.


Work duties

Develop numerical methodology to describe aqueous solutions containing multiple, interacting macromolecules, typically found in biological and/or pharmaceutical systems. This includes Monte Carlo sampling and, for analysis, machine learning algorithms. The work entails software development to incorporate statistical thermodynamic theory and algorithms for simulating neutron and X-ray scattering into existing, open source software (written in C++/python). The student will collaborate with other universities in Sweden and in Denmark, and collect knowledge in the fields of scattering and high-performance computing. The research is mainly theoretical, and requires a strong mathematical mindset. Progress is reported at conferences, and as research articles in scientific journals.  

The main duties of doctoral students are to devote themselves to their research studies which includes participating in research projects and third cycle courses. The work duties can also involve teaching and other departmental duties (no more than 20%).


Admission requirements

A person meets the general admission requirements for third-cycle courses and study programmes if he or she:

  • has been awarded a second-cycle qualification, or
  • has satisfied the requirements for courses comprising at least 240 credits of which at least 60 credits were awarded in the second cycle, or
  • has acquired substantially equivalent knowledge in some other way in Sweden or abroad.

A person meets the specific admission requirements for third cycle studies in Theoretical Chemistry if he or she has:

  • At least 120 credits Chemistry, out of which at least 30 credits were awarded as an exam project at an advanced level. In some cases, the requirement for chemistry courses can be replaced by other subjects:
  • For Theoretical Chemistry, at least 60 credits in Physics and 60 credits in Mathematics are also approved.

The specific requirements can also be obtained via other educations, resulting in a corresponding competence. This will be assessed on an individual basis.

Additional requirements:

  • Very good oral and written proficiency in English.

Assessment criteria

Selection for third-cycle studies is based on the student’s potential to profit from such studies. The assessment of potential is made primarily on the basis of academic results from the first and second cycle. Special attention is paid to the following:

  • Knowledge and skills relevant to the thesis project and the subject of study.
  • An assessment of ability to work independently and to formulate and tackle research problems.
  • Written and oral communication skills.
  • Other experience relevant to the third-cycle studies, e.g. professional experience.

    • Other assessment criteria

    Documented experiences within the following fields are considered as strong merits:

    • experience with Monte Carlo simulations of biological systems
    • programming, preferably for high-performance, scientific calculations using C++/python
    • machine learning
    • applications of mathematical modelling

    Consideration will also be given to good collaborative skills, drive, and independence, and how the applicant, through her or his experience and skills, is deemed to have the abilities necessary for successfully completing the third cycle programme.


    Terms of employment

    Only those admitted to third cycle studies may be appointed to a doctoral studentship. Third cycle studies consist of full-time studies for 4 years. A doctoral studentship is a fixed-term employment of a maximum of 5 years (including 20% departmental duties). Doctoral studentships are regulated in the Higher Education Ordinance (1993:100), chapter 5, 1-7 §§.


    Instructions on how to apply

    Applications shall be written in English and include a cover letter stating the reasons why you are interested in the position and in what way the research project corresponds to your interests and educational background. The application must also contain a CV, degree certificate or equivalent, and other documents you wish to be considered (grade transcripts, contact information for your references, letters of recommendation, etc.).

    Earliest possible start date: 2022-10-01, but later start dates are also possible


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