PhD student in Computational Materials Chemistry

The Department of Chemistry - Ångström conducts research and education in the chemistry field. The department has more than 270 employees and has a turnover of 300 million SEK. At the department's six programs, we conduct very successful research of a high international standard. We have a large number of externally funded research projects, often with international cooperation and we see continued good growth in our subject area. The department has education assignments in engineering programs and master's programs. More information is available on our website: (https://kemi.uu.se/angstrom/?languageId=1).

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This PhD position is part of the eSSENCE graduate school in data-intensive science in collaboration with STandUP for Energy. The school addresses the challenge of data-intensive science both from the foundational methodological perspective and from the perspective of data-driven science applications. It is an arena where experts in computational science, data science and data engineering (systems and methodology) work closely together with researchers in (data-driven) sciences, industry and society to accelerate data-intensive scientific discovery.

eSSENCE is a strategic collaborative research programme in e-science between three Swedish universities with a strong tradition of excellent e-science research: Uppsala University, Lund University and Umeå University.

STandUP focuses on long-term sustainable energy supply, one of the greatest global challenges in the next decades. The groups within STandUP envision a future society that is provided with renewable, highly reliable and cost-efficient energy for all its residential, commercial, transportation and industrial needs.

Duties
We are looking for a motivated and ambitious student for theoretical studies of ion transport in solid-state battery materials. For this purpose, the main focus is to develop a multiscale computational framework for modelling ion-conductivity in complex battery materials. This framework will be used to carry out a high-throughput screening where a large number of hypothetical materials will be studied by systematically varying its composition. The large amounts of data provided by the screening will be used to decipher important connections between material structure and conductivity by using advanced data-mining strategies and machin-learning.

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 include teaching and other departmental duties (no more than 20%).

Requirements
The candidate must have:

• been awarded a second-cycle qualification, or
• have completed at least 240 credits in higher education, with at least 60 credits at Master’s level including an independent project worth at least 15 credits, or
• acquired essentially equivalent knowledge in some other way in Sweden or abroad.
• very good oral and written proficiency in English.
• degree or equivalent as above in Chemistry, Physics, Materials Science or Data Science.

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant’s experience and skills complement and strengthen ongoing research within the department, and how they stand to contribute to its future development.

Additional qualifications
A background within material science is desired, with Physics and/or Chemistry specialization as is strong data handling and programming skills, and experience of using computational tools for materials modelling. Experience of electrochemistry and batteries is valuable.

 About the employment
The employment is a temporary position according to the Higher Education Ordinance chapter 5 § 7. Scope of employment 100 %. Starting date 2025-01-01 or as agreed. Placement: Uppsala

Rules governing PhD students are set out in the Higher Education Ordinance chapter 5, §§ 1-7 and in Uppsala University's rules and guidelines.

For further information about the position, please contact: 
Amber Mace (amber.mace@kemi.uu.se)

Please submit your application by 29 November 2024, UFV-PA 2024/3219.

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