Vacant job

Department of Chemistry - Ångström

The Department of Chemistry - Ångström conducts research and education in the field of chemistry.

The department has 270 employees and a turnover of 300 million SEK. The six programs at the department conduct highly successful research of international caliber. We have a large number of externally funded research projects, often with international collaboration, and we see continued good growth in our field. The department has educational assignments within engineering and master's programs. More information can be found on our website (https://www.uu.se/institution/kemi-angstrom).

Work with us (https://www.uu.se/om-uu/jobba-hos-oss/)

Job Description

The electrolyte is an essential component in all electrochemical storage devices. The discovery of new materials for electrolytes in batteries presents an enormous space of combinatorial possibilities, including chemical, compositional, and topological dimensions. To effectively oversee these nearly infinite possibilities for electrolyte design, computational tools powered by machine learning techniques can be developed and utilized. The focus of this project will be on (i) developing molecular representations used in generative AI and atomistic machine learning that can handle both liquid and polymer electrolyte systems, and (ii) developing high-capacity and accurate simulation techniques for molecular dynamics (MD) to calculate atomic and molecular transport coefficients in the electrolytes. The PhD candidate will be part of the TEC group (https://tec-group.github.io/), which is part of the Ångström Advanced Battery Centre (ÅABC). This application-driven method development project will involve both national and international collaborations.

Qualifications

The applicant should have:

• a master's degree in theoretical chemistry (or related disciplines) and have good knowledge of physical chemistry and materials chemistry, or
• completed course requirements of at least 240 higher education credits, of which at least 60 higher education credits at advanced level (of which 15 higher education credits constitute independent work), with content relevant to the doctoral education, or
• acquired equivalent knowledge in some other way, either domestically or internationally
• excellent skills in written and spoken English.
• programming skills in Python.

Significant emphasis will also be placed on personal qualities such as good collaboration skills, drive, independence, and how the applicant, through their experience and competence, is assessed to have the ability needed to succeed in doctoral education.

Desirable/meritorious qualifications

• Previous experience in developing MD techniques and (periodic) quantum chemical calculations.
• Previous experience in machine learning applications in chemistry, including experience with at least three of the following Python libraries: Pandas, scikit-learn, PyTorch, TensorFlow, JAX, RDKit.
• Previous experience in coding with GitHub.

About the Position

The position is temporary, according to HF 5 chap. § 7. The extent is full-time. Start date 2025-09-01 or by agreement. Place of employment: Uppsala.

Regulations for doctoral students can be found in the Higher Education Ordinance 5 chap. §§ 1-7 and in the regulations (https://www.uu.se/medarbetare/organisation-styrning/regler/).

Inquiries about the position can be made to:

Dr. Chao Zhang, chao.zhang@kemi.uu.se (mailto:chao.zhang@kemi.uu.se), +4618-471 3721, Dr. Rocío Mercado Oropeza, rocio.mercado@chalmers.se (mailto:rocio.mercado@chalmers.se), and Prof. Daniel Brandell, daniel.brandell@kemi.uu.se (mailto:daniel.brandell@kemi.uu.se).

Welcome with your application no later than April 24, 2025, UFV-PA 2025/888.

Uppsala University is a broad research university with a strong international position. The ultimate goal is to conduct education and research of the highest quality and relevance to make a difference in society. Our most important asset is all 7,600 employees and 53,000 students who, with curiosity and commitment, make Uppsala University one of the most exciting workplaces in the country.

Read more about our benefits and what it is like to work at Uppsala University here (https://uu.se/om-uu/jobba-hos-oss/).

The position may be subject to security clearance. A prerequisite for employment is that the applicant is approved during the security clearance.

We kindly decline offers of recruitment and advertising assistance.

Applications are received in Uppsala University's recruitment system.