PhD student in Materials Science (Theory and modelling)
Back to available jobsA future sustainable society requires accelerated materials development. Work with us in an interdisciplinary project combining materials science and theoretical modelling with AI and machine learning for discovery of new low-dimensional materials.
Your work assignments
The project for which we are now looking for new staff concerns fundamental research within material physics, primarily theory and modelling of atomically laminated materials. We will use open data bases and high-throughput simulations to explore a wide range of known and hypothetical 2D and 3D compounds, their synthesizability and properties. This will be achieved by construction of databases and systematic evaluation of thermodynamic aspects related to synthesis and tunability of properties. The project will involve AI and machine learning, and will be performed in close collaboration with researchers at the Department of Computer Science, as well as with experts in materials synthesis and characterization.
We have a strong track record in the discovery of both 2D and 3D inorganic materials (MXenes, 2D borides, etc.), and regularly publish in high-impact journals. We now intend to explore new materials for sustainable applications such as catalysis, energy storage, and water purification. The PhD student will perform theoretical simulations of 3D/2D materials by primarily Density Functional theory (DFT), for identification of ground state crystal structure, composition and properties, and also generate data for AI/ML procedures. The theoretical work will be closely correlated to related experimental activities, i.e., materials synthesis, analysis, and property testing.
As a PhD student, you devote most of your time to doctoral studies and the research projects of which you are part. Your work may also include teaching or other departmental duties, up to a maximum of 20% of full-time.
Your qualifications
You have graduated at Master’s level in physics, materials chemistry or materials science/engineering or completed courses with a minimum of 240 credits, at least 60 of which must be in advanced courses in. Alternatively, you have gained essentially corresponding knowledge in another way.
The applicant must have very good and fluent English, spoken and written.
Since the project is part of a big collaborative project, excellent communication and collaboration skills are required.
Your workplace
The Materials Design division carries out research, undergraduate and postgraduate education within materials physics (materials chemistry). The division is divided into three units; Materials theory, Thin films and nanolaminated materials, and Applied electrochemistry. We are also in the process of establishing a fourth unit, Advanced materials for environmental remediation. The PhD student will be part of a stimulating research environment that combines multiscale modelling with materials synthesis and characterization, targeting new materials for future innovations.
This recruitment is connected to the Wallenberg Initiative Materials Science for Sustainability (WISE, wise-materials.org). 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: https://wise-materials.org
The employment
When taking up the post, you will be admitted to the program for doctoral studies. More information about the doctoral studies at each faculty is available at Doctoral studies at Linköping University
The employment has a duration of four years’ full-time equivalent. You will initially be employed for a period of one year. The employment will subsequently be renewed for periods of maximum duration two years, depending on your progress through the study plan. The employment may be extended up to a maximum of five years, based on the amount of teaching and departmental duties you have carried out. Further extensions can be granted in special circumstances.
Starting date by agreement.
Salary and employment benefits
The salary of PhD students is determined according to a locally negotiated salary progression.
More information about employment benefits at Linköping University is available here.
Union representatives
Information about union representatives, see Help for applicants.
Application procedure
Apply for the position by clicking the “Apply” button below. Your application must reach Linköping University no later than 3rd of June 2025.
Applications and documents received after the date above will not be considered.
We look forward to receiving your application!
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