A 4-year postdoc position is available from September 2019 in the School of Physics and the CRANN Institute (www.crann.tcd.ie) at Trinity College Dublin (Ireland). Sponsored by the Irish Research Council (IRC) this is part of a large effort for developing and implementing machine-learning methods for materials design. The project will be hosted by the Computational Spintronics Group (www.spincomp.com), headed by Prof. Sanvito, and is strongly connected to the experimental activity at CRANN and the AMBER research center (ambercentre.ie). The project will include methodological algorithm development and materials science. The successful candidate will also be asked to take some responsibility in PhD students supervision and project management.
The position will be part of a large project aiming at the computational design of novel magnets for a range of applications (electric motors, data storage, sensing, antennas, etc.). We will use machine-learning methods trained over large experimental and theoretical datasets to explore a vast chemical and structural space. These will provide a first pool of materials prototypes, whose electronic and magnetic properties will be calculated with advanced electronic structure theory (density functional theory) operated in a automatized high-thoroughput mode. Then, for the most promising materials, we will construct state-of-the-art machine learning force fields and with these explore their finite-temperature behaviour. Feedback between the different level of theory will be essential, so that the results of the force fields and of density functional theory will enable the improvement of the machine-learning models. The project will maintain a close collaboration with experimental groups at Trinity (Profs. Coey and Stamenov), who will attempt the synthesis of the most promising magnets identified by the theory. Part of the research will be conducted in collaboration with Prof. Curtarolo’s Materials Lab at Duke University.
Essential/Desirable Criteria
Strong overall motivation and a keen interest in theory and computation, as well as in interdisciplinary work between physics and materials science. Previous experience in UNIX/Linux environment and with programming. Ability to work independently and also function as an active and efficient team player. Good writing skills. Previous knowledge of density functional theory and/or other electronic structure methods will be essential. Experience with magnetism and magnetic materials and/or with machine-learning methods will be considered as an advantage.
How to apply?
Applications must include a cover letter detailing how you meet the selection criteria for the post, together with a CV and the name and contact details of at least two referees (e-mail address). Informal inquiring and applications should be sent to:
Prof. S. Sanvito (Trinity College Dublin, sanvitos@tcd.ie)
Information about the research group can be found at: http://www.spincomp.com. The position will be open until filled.