PhD Position in Chemistry with Specialization in Theoretical Inorganic Materials Chemistry - Hiring in process/Finished, not possible to apply

The Department of Chemistry - Ångström Laboratory conducts research and education in chemistry. The Department has over 300 active persons with about 200 employees in addition to guest researchers and students doing research at the master level. The annual turnover is about 200 million SEK. For more information, visit Chemistry Ångström's website.

Description of the Research Group: The focus of the research done in the Teoroo (Theoretical Inorganic Materials Chemistry) group is e-science for materials chemistry, i.e. molecules + materials + chemistry + computers + software. For more information, visit our website. We develop multi-scale models and methods to bring simulations closer to the complex, large-scale dynamical problems of the real world, in fields such as catalysis, nano-chemistry, and electrochemical energy storage. The methods used in the group include – combinations of – ab initio and semi-empirical quantum-mechanical methods, advanced (reactive) force fields, MD simulations, and computational vibrational spectroscopy. The research group is active in the newly formed European Materials Modeling Council, and in within the CECAM (Center Européen de Calcul Atomique et Moléculaire) organization as well as in the Swedish strategic e-science research program eSSENCE.

Duties: We are seekinglooking for a motivated and ambitious student for a theoretical (computational) PhD project focused on studies of how different chemical conditions affect the chemistry of nanoparticles of reducible metal oxides from a toxicological perspective. To this end, you will use quantum chemical methods combined with dynamic and kinetic simulations to explorestudy how the redox activity of metal oxide nanoparticles in solutions is affected by varied different external conditions such as pH and electrochemical potential. The aim of the work is to find a connections between the fundamental material properties of metal oxide nanoparticles of metal oxides and their oxidative/antioxidativeant ability in contact with biomolecules. The ultimate goal is to increase our understanding of the impact of nanoparticles on human health.

Requirements: The candidate should have a master's degree in chemistry (or related disciplines), and possess a good understanding of computational chemistry and inorganic chemistry. Previous experience in the field of heterogeneous catalysis and of MD techniques and/or (periodic) quantum chemical calculations is highly meritorious. The candidate should also be familiar with chemical concepts used for describing chemical reactions in solvents (e.g. acid-base, redox, and PCET). Excellent capabilities in written and oral English is a requirement.

Application procedure: The application should include a statement of the applicant's research interests, CV, certificates of exams, degrees and grades, a copy of the Master thesis, published article or relevant materials, if available. Also, contact information of at least two reference persons should be included.

The rules about PhD students are found in the Higher Education Ordinance Chapter 5 §§1-7 and the university's rules and guidelines.

Uppsala University strives to be an inclusive workplace that promotes equal opportunities and attracts qualified candidates who can contribute to the University’s excellence and diversity.

We welcome applications from all sectorsions of the community and from people of all backgrounds.

Pay: According to local agreement (Local collective agreement for doctoral students and students).

Starting: 2018-09-01 or as otherwise agreed.

Type of employment: Temporary position for four years

Working hours: 100 %

For further information about the position please contact Dr. Peter Broqvist, peter.broqvist@kemi.uu.se.

You are welcome to submit your application no later than 2018-05-31, UFV-PA 2018/1299.

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