For more information about the vacancy https://liu.se/en/work-at-liu/vacancies/23735 We are looking for a postdoctoral researcher to join 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. The goal of this project is to understand stability ranges and synthesizability conditions of high-pressure high-temperature formed materials, with the aim of searching for next-generation materials that retain functional properties under decompression or are even directly synthesizable at ambient conditions. We will use density functional theory based calculations, machine learning based techniques and work in close collaboration with an international network of theorists, computational scientists and experimentalists. Work assignments  You will principally carry out research and possibly teaching up to a maximum of 20% of working hours. Within the main research project your tasks 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. Qualifications To be qualified to take employment as postdoc, you must have been awarded a doctoral degree or have a foreign degree that is deemed to be equivalent to a doctoral degree, awarded at the latest by the point at which LiU makes its decision to employ you. It is considered advantageous if your doctoral degree is no older than three years at application deadline for this job, special reasons for an older doctoral degree (e.g. statutory leave) may be taken into consideration. • It is a requirement for the position to have one of following backgrounds: • A PhD degree in Theoretical Physics, Material Science, Chemistry or equivalent with a clear relation to solid state physics and/or materials chemistry. Experience with density functional theory based simulations is required. Experience with high pressure physics and crystallography will be evaluated strongly beneficial. Experience with high-throughput frameworks is beneficial. In this case, a one page letter of intent connecting the applicants experience (specifically summarise the PhD project) with the topic of the project, a list of publications and documentation of the above stated requirements and merits is expected. • A PhD in Computational Physics, Scientific Computing, Mathematics or similar with a strong programming and machine learning background that the applicant can transfer to material science problems. Knowledge in group theory and graph theory is beneficial. If this applies, we accept an up to two page letter of intent in which applicants are expected to explain the transferability between previous experience (specifically summarise the PhD project) and the project, additional to a list of publications. Documentation of the above stated requirements and merits is expected. • A requirement for the position is in both cases documented experience with programming in Python as well as working with HPC environments. Documented experience with machine learning frameworks and GPU-acceleration (e.g. JAX, Torch) is meriting for a) and a requirement for b). Programming experience in other languages is meriting. Include a description of the level of programming, and specifically in Python, with concrete examples of passed courses, publications, and software that the applicant has written or contributed to. Contributions to publicly available code,e.g., in open source projects (links must be included) are meriting.  • Since research and collaborations are conducted in English, strong proficiency in written and verbal English are a requirement. The workplace The position will be located within the Physics at Extreme Conditions Unit within the Theoretical Physics Division. The employment This employment is a temporary contract of two years with the possibility of extension up to a total maximum of three years. The employment is full-time. Starting date by agreement. Salary and employment benefits The university applies individual salaries. State your desired salary in the application. More information about employee benefits is available here.  Union representatives Information about union representatives, see Help for applicants. Application procedure Your application must be received no later than 2 April, 2024.  We welcome applicants with different backgrounds, experiences and perspectives - diversity enriches our work and helps us grow. Preserving everybody's equal value, rights and opportunities is a natural part of who we are. Read more about our work with: Equal opportunities. We look forward to receiving your application! Linköping university has framework agreements and wishes to decline direct contacts from staffing- and recruitment companies as well as vendors of job advertisements.