Up to two PhD positions with focus on computational materials exploration at extreme conditions 

within the ERC Starting Grant Project: Understanding material synthesis conditions and complexity at high pressure (UNMASCC-HP) in the Physics at Extreme Conditions Unit within the Theoretical Physics Division at Linköping University (LiU). 

In this research project we will investigate the stability and properties of nitrides and hydrides at extreme and ambient conditions. We will employ density functional theory based calculations, machine learning based techniques and work in close collaboration with an international network of theorists, computational scientists and experimentalists at LiU within the theoretical physics division, the International Interdisciplinary Laboratory for Advanced Functional Materials (AFM), as well as the Visualisation Center, and internationally with the University of Edinburgh, the University of Bayreuth and more. More information about recent projects can be found here.

Your tasks in the larger frame of the project can vary depending on background and personal interest. In general, the topics are:

• Density functional theory based calculations of material properties for new experimentally synthesized materials in collaboration with experimental colleagues as well as predictions of new crystal structures.

• Method development (theory and programming) with respect to stability and property predictions based on density-functional theory calculations as well as machine learning techniques.

• Theoretical description of high-pressure synthesized materials and their stability as well as exploring decompression paths towards industrially relevant pressure and temperature conditions.

The employment has in general a duration of four years’ full-time equivalent and may be extended up to a maximum of five years, based on the amount of teaching and departmental duties you have carried out. The position comes with employment benefits, e.g. financial support for preventive health care, reimbursement of prescription medicine costs up to the high-cost threshold, and more.

To apply for the positions, more information on the necessary qualifications, the workplace, and the project visit: https://liu.se/en/work-at-liu/vacancies/23988

Application deadline: 2024-04-02