Doctoral student in theoretical chemistry - Hiring in process/Finished, not possible to apply

Work description

The doctoral student will work with a combination of quantum chemical methods and models known from classical mechanics. These models are necessary for the description of large, compex systems (e.g. proteins). The work will focus on the development of an accurate polarizable embedding scheme that (unlike most other models) includes mutual polarization between the systems described by classical and quantum chemical methods. The goal is to develop a polarizable embedding model that employs relativistic quantum chemical methods. Moreover, the doctoral student will develop the polarizable embedding model for multiconfigurational methods. The multiconfigurational methods will be based on perturbation theory, but also include new models that combine density functional theory with multiconfigurational wave functions.

The developed models will fill a gap in the arsenal of methods currently available in the scientific community, and ensure we can describe metallenzymes, where both relativistic and multiconfigurational descriptions are important. The student will apply the developed models to various metalloenzymes, for instance copper-enzymes involved in generation of bio-fuel and molybdenum enzymes that oxidizes harmful sulfur compounds in mammals and plants. The student may collaborate with experimental groups, but is not expected to take part in experimental work.

Qualifications 

MSc, qualified civil engineer or an equivalent education in chemistry, physics, or similar. Practical experience of theoretical chemistry methods (quantum chemistry, molecular dynamics, etc.) is meriting. As are programming skills, and courses in quantum mechanics, statistical mechanics, physical chemistry, and mathematics.

Eligibility
Students with basic eligibility for third-cycle studies are those who- have completed a second-cycle degree- have completed courses of at least 240 credits, of which at least 60 credits are from second-cycle courses, or- have acquired largely equivalent knowledge in some other way, in Sweden or abroad.

The employment of doctoral students is regulated in the Swedish Code of Statues 1998: 80. Only those who are or have been admitted to PhD-studies may be appointed to doctoral studentships. When an appointment to a doctoral studentship is made, the ability of the student to benefit from PhD-studies shall primarily be taken into account. In addition to devoting themselves to their studies, those appointed to doctoral studentships may be required to work with educational tasks, research and administration, in accordance with specific regulations in the ordinance.

Type of employment
Limit of tenure, four years according to HF 5 kap 7§.