PhD Position in Theoretical Materials Chemistry
Sort on published: 2018-04-13
Uppsala University is a comprehensive research-intensive university with a strong international standing. Our mission is to pursue top-quality research and education and to interact constructively with society. Our most important assets are all the individuals whose curiosity and dedication make Uppsala University one of Sweden’s most exciting workplaces. Uppsala University has 42,000 students, 7,000 employees and a turnover of SEK 6.7 billion.
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. 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 European Materials Modeling Council, and in the CECAM (Center Européen de Calcul Atomique et Moléculaire) organization as well as in the Swedish strategic e-science research program eSSENCE.
Duties: The PhD student will engage in a research project that concerns materials modeling of solid-electrolyte interfaces. The starting point will be to investigate dielectric properties (i.e. capacitance and ionic conductivity) of charged (e.g. protonated) metal oxide surfaces and their interfaces with aqueous electrolytes, following our recent methodological development (Phys. Rev. B, 94, 245309, 2016, DOI: 10.1103/PhysRevB.94.245309). Moreover, we will explore machine-learning techniques to model the (electro)chemical reactivity at such interfaces and to develop an electrolyte-centered multi-scale modeling approach for applications in electrochemical energy conversion and/or storage.
Requirements: The candidate should have a Master's degree in chemistry (or related disciplines), and possess a good understanding of physical chemistry and materials chemistry. Previous experiences with MD techniques and (periodic) quantum chemical calculations are highly meritorious. Familiarity with electrolytes (aqueous or aprotic electrolyte), metal-oxide materials and energy storage systems (i.e. Li/Na battery) would be a plus. The candidate must have excellent capabilities in written and oral English.
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 material, 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 sectors 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. Chao Zhang (firstname.lastname@example.org), Dr. Peter Broqvist (email@example.com) or Prof. Kersti Hermansson (firstname.lastname@example.org).
You are welcome to submit your application no later than 2018-05-31, UFV-PA 2018/1298
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Placement: Department of Chemistry - Ångström Laboratory
Type of employment: Full time , Temporary position longer than 6 months
Pay: Fixed salary
Number of positions: 1
Working hours: 100 %
County: Uppsala län
Ellena Papaioannou, Seko
Suzanne Borén Andersson, TCO/ST 018-471 6251
Per Sundman, Saco-rådet 018-471 1485
Number of reference: UFV-PA 2018/1298
Last application date: 2018-05-31