Post-doctoral Position in Theoretical Inorganic Materials Chemistry for Dynamical Simulations of Nanomaterials Interfaces with Water - Hiring in process/Finished, not possible to apply

Department of Chemistry - Ångström Laboratory conducts research and education in chemistry. The Department has over 300 active persons, of which 200 are employees and the rest consists of guest researchers and students doing research at Master level. Annual turnover is just over 200 million SEK. For more information, visit the Chemistry Ångström's website.

Description of the Research Group: The focus of the research done in the Teoroo (Theoretical Inorganic 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 hydration phenomena. 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. We explore and explain physical and chemical phenomena involving metal-oxide surfaces and nano-particles, both under high vacuum and in complex and more realistic environments, such as aqueous media. Water and aqueous solutions themselves are also of particular interest to the group. For more information about the research group, visit our website.

Description of Research Area: Research concerning the structural chemistry of inorganic materials is an internationally large and interdisciplinary area, combining chemistry, physics and engineering, where modelling has become an important tool used to understand dynamic atomic level processes. The development in this area (“computational materials chemistry”) aims in the direction of simulations of larger and more complex chemical systems, for example reactive nanoparticles in solution, which demands new computational approaches. The details of the research to be conducted within the scope of the announced position will be elaborated in concert with the candidate's experience and expertise. This means that the position may either be application-oriented, comprising large-scale molecular dynamics simulations in one of our profile areas described above, or more method-oriented, with a focus on the development of force-fields and approximate quantum-chemical models for redox-active systems. The aim of the research is to increase our chemical understanding of inorganic liquid-solid interfaces through clever analysis of structure- dynamics- property relationships derived from computational materials chemistry.

Requirements: The applicant is expected to have, at the starting date of the position, and obtained no more than three years prior to the application deadline, a PhD degree in Chemistry, Physics, or, equivalent. Furthermore, the applicant should have a high expertise in developing and/or using computational chemistry techniques such as Density Functional Theory (DFT) simulations and Force Field (FF) simulations. High proficiency in writing and communication in English is required. Programing proficiency is a merit, as is experience of machine learning techniques.

The application should include a statement of research interest, CV, certificates of exams, degrees and grades, a copy of the doctoral thesis, published articles or relevant materials, if available. Also, letter(s) of recommendation can be included.

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 sections of the community and from people of all backgrounds.

Salary: Individually negotiated salary.

Starting date: 01-04-2018 or as otherwise agreed.

Type of position: Temporary position for two years.

For further information about the position please contact Associate Senior Lecturer Peter Broqvist (peter.broqvist@kemi.uu.se) or Professor Kersti Hermansson (kersti@kemi.uu.se). 

Please submit your application by 1 March 2018, UFV-PA 2018/327

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