For more information about the vacancy https://liu.se/en/work-at-liu/vacancies/23988 We are looking for up to two PhD students 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  As a doctoral student, you mainly focus on doctoral studies and the research projects. Your work may include teaching or other departmental duties, up to a maximum of 20% of full-time. 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 A requirement for the position is a Master’s level degree in Theoretical or Computational Physics, Material Science, Chemistry or equivalent with a minimum of 240 credits, at least 60 of which must be in advanced courses in physics, materials science and/or materials chemistry. Documented experience with computer simulations will be evaluated strongly beneficial. Alternatively, you have gained essential corresponding knowledge in another way. A transcript showing courses and grades should be included with the application. The position is not meant for those with substantially more experience, e.g., already having a doctoral degree. A requirement for the position is documented experience with programming in the programming language Python as well as basic UNIX experience. Programming experience in other languages and in particular with machine learning frameworks and GPU-acceleration (e.g. JAX, Torch) are meriting. The application should include a description of the level of programming in general, and specifically in Python, with concrete examples of attended courses and software that the applicant has written or contributed to. Contributions to publicly available program code (e.g., in open source projects) are meriting, and if available, links to such contributions should be included in the application. Of particular merit is (at last basic) knowledge in crystallography and crystal chemistry. Documentation of this experience must be included in the application. Since research and collaborations are conducted in English, strong proficiency in written and verbal English communication are a requirement. The applicants are expected to provide a letter of intent (max 1 Page, 11pt) as well as a half page summary (plus max. one figure) of their master thesis project written in English. In the letter of intent, specify your research interest with respect to the topics outlined above and highlight the relation with your studies and other experience. The workplace The position(s) will be located within the Physics at Extreme Conditions Unit within the Theoretical Physics Division. The employment When taking up the post, you will be admitted to the Theory and Modelling in Natural Sciences (in special cases the Applied Physics) program for doctoral studies. More information about the doctoral studies at each faculty is available at. 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 doctoral students is determined according to a locally negotiated salary progression. The position comes with employment benefits. More information about employee benefits is available https://liu.se/en/work-at-liu/employee-benefits.  Union representatives Information about union representatives, see https://liu.se/en/work-at-liu/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! 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