PhD Student in computational modeling of electrochemical CO2 re-duction

PhD Student in computational modeling of electrochemical CO2 re-duction [OBS denna annons har utgått]

Annons: 28405032
Yrke: Doktorand
Arbetsgivare: Luleå tekniska universitet
Arbetets ort: Luleå, Norrbottens län
Senaste ansökningsdatum: 2024-02-15
Publiceringsdatum: 2024-01-10


Arbetslivserfarenhet: Doktorand


Luleå University of Technology is in strong growth with world-leading competence in several research areas. We shape the future through innovative education and ground-breaking research results, and based on the Arctic region, we create global social benefit. Our scientific and artistic research and education are conducted in close collaboration with international, national and regional companies, public actors and leading universities. Luleå University of Technology has a total turnover of SEK 1.9 billion per year. We currently have 1,840 employees and 17,670 students.

In the coming years, multi-billion investments will be made in large projects in Northern Sweden to create a fossil-free society both nationally and globally. Luleå University of Technology is involved in several of these cutting-edge research projects and in the societal transformation that they entail. We offer a broad range of courses and study programmes to match the skills in demand. We hope that you will help us to build the sustainable companies and societies of the future.The subject of applied physics is part of the Department of Materials Science. It performs research within atomistic modeling, electron structure theory, condensed matter theory, astrophysics and fundamental theoretical physics. We are now looking for two PhD students, one who will focus on molecular catalysts and one who will focus on heterogeneous catalysts.

The research group you will be part of focuses on developing novel materials for green energy applications and large scale industrial processes. We use density functional theory modeling to develop a detailed understanding of materials and chemical reactions related to electrochemistry and catalysis. As a member of this newly established research group you will have the possibility to be a part of a dynamic and international team and perform research in close contact with experimental groups and industry.

Subject Description
The subject comprises physics with an emphasis on calculations and simulations that are closely and widely related to applications and applied research.

Project Description
As PhD student you will use density functional theory computations to develop a fundamental understanding of electrochemical CO2 reduction to post CO or even C2+ products. The research focuses either on molecular or solid state catalysts. Your research will for example target reaction mechanisms or fundamental materials properties associated with the catalytic activity.  Based on these insights you will predict novel catalysts which can be synthesized and tested by external collaborators.

This recruitment is connected to the Wallenberg Initiative Materials Science for Sustainability (WISE). WISE, funded by the Knut and Alice Wallenberg Foundation, is the largest-ever investment in materials science in Sweden and will encompass major efforts at Sweden’s foremost universities over the course of 10 years. The vision is a sustainable future through materials science. Read more: WISE

As a PhD student you are expected to perform both experimental and theoretical work within your research studies as well as communicate your results at national and international conferences and in scientific journals. Most of your working time will be devoted to your own research studies. Project planning and independently developing the research topic are also an important part of your work. In addition, you can have the opportunity to try the teacher role.

The project will mainly focus on performing density functional theory (DFT) calculations on transition metal complexes or metal and metal oxide surfaces with the aim to identify reaction mechanism and screen for catalysts.

You have a master’s degree in chemistry, physics, materials science or a related subject. Your duties require excellent knowledge in at least one of the following subjects: Inorganic chemistry, catalysis, electrochemistry, organometallic chemistry or surface chemistry. Experience in organic chemistry and computational chemistry is of advantage. Good command of English is mandatory.

We are looking for two students who are enthusiastic about catalysis and are able to work both independently and as a part of a team. Your project will lie at the boundary between physics and chemistry and you will work in close collaboration with experimentalists. So good communication skills and the ability to work interdisciplinary are important.

Further Information
Employment as a PhD student is limited to 4 years, teaching and other department duties may be added with max 20%. You will be placed in Luleå. Start: upon agreement.

For additional information you are welcome to contact Dr. Michael Busch, Senior lecturer in Applied Physics,

Union representatives:
SACO-S Kjell Johansson, +46 920-49 1529
OFR-S Lars Frisk, +46 920-49 1792

In case of different interpretations of the English and Swedish versions of this announcement, the English version takes precedence.

We prefer that you apply for this position by clicking on the apply button below. The application should include a CV, personal letter and copies of verified diplomas from high school and universities. Mark your application with the reference number below. Your application, including diplomas, must be written in English or Swedish.

Application deadline: February 15, 2024
Reference number: 5608-2023