Postdoctoral Researcher at Trinity College Dublin (Emergent Magnetism)

Applications are invited for a Postdoctoral Researcher position at the School of Physics and CRANN Research Institute, Trinity College Dublin, The University of Dublin, Ireland. The successful candidate will join the Condensed Matter Theory Group lead by Dr David O’Regan.

The Researcher will play a central role within a newly-launching international research collaboration “Emergent Magnetism and Spin Interactions in Metallo-Molecular Interfaces”, which brings together Trinity’s Condensed Matter Theory and Computational Spintronics (Prof. S. Sanvito) Groups, the U.K. STFC Scientific Computing Department (Dr G. Teobaldi), and exciting experimental work at the University of Leeds, U.K. (Dr O. Cespedes and Prof. B. J. Hickey) [1-3].

The appointment will be made for 1 year in the first instance, with a gross annual salary of up to EUR 41,827 (plus employer's pension and social insurance contributions), depending on the successful candidate’s level of prior experience. The project allows for extension, up to 4 years in total, which is desirable and dependent on both the appointee’s performance as well as the project’s evolving scientific priorities. A start date as soon as Nov. 2019 may be possible.

Project outline
The interface between two materials can be used to give rise to new properties that neither component could exhibit separately (emergence), to the tuning of capabilities found in of one of them (enhancement), or to the sharing of their functionalities (proximity). The range of magnetic elemental metals is limited; among the transition metals only iron, nickel and cobalt show spontaneous magnetic ordering at room temperature. Here, we will use molecular interfaces to generate novel magnets beyond the Stoner criterion, to control the spin properties of thin films, and to add functionalities. From a fundamental point of view, the origin of these experimentally observed effects is not yet fully explained due to the complexity of the interfaces, the materials involved, and their intricate quantum-electronic properties. Our aims are:

i. To develop a new theoretical framework to study magneto-molecular coupling and interfaces, accounting for the many physical factors at play in the coupling between metals and molecules.
ii. To improve the properties of commonly-used magnetic thin films via nanocarbon overlayers.
iii. To create the opportunity for switchable magnetism by turning on/off the interfacial spin ordering using electric fields.

The successful candidate will, in their first year:
• Set up and validate a computational screening protocol for emergent magnetism at disordered interfaces, e.g. using DFT+U with first-principles U and J parameters, Wannier-function based population analysis and constrained DFT, and hybrid-DFT, KKR, and/or GW based validation.
• Develop design rules, based on the combination of theoretical and experimental results, for maximising the emergent magnetism of ordinarily non-magnetic metals.
• Undertake a one-month visit to STFC-SCD, U.K. to learn existing strategies for modelling emergent magnetism.
• Buy in to the project heavily, develop a strong, dynamic collaborative rapport with all participants, and champion the development of a dedicated project website.
• Take initiatives to develop their own career and competences within the project framework, by availing of research and career development training available at Trinity; by travelling overseas (for which there is a good budget) and presenting their work to the highest standards at relevant scientific events; developing and disseminating uniquely identifiable scientific software, participating in relevant outreach activities (for which support and training is available), and assisting in the mentorship of students and their research projects.

Requirements
• A Ph.D. (or recently submitted Ph.D. thesis awaiting examination) involving research in large-scale first-principles electronic structure simulation and/or method development (ideally with applications to surface science or magnetism), the quantum theory of exchange interaction and magnetism, relativistic effects, and/or the modern theory of magnetisation, Wannier function methods, model many-body quantum models for disordered magnetism incorporating first-principles or experimental inputs, and/or informatics and high-throughput techniques for materials discovery. Candidates with physics, chemistry, and materials science backgrounds, or equivalent subsequent research experience, are welcome.
• Proficiency in the use of high-performance computing, including shell scripting, MPI programming in Fortran, and proven experience in high-quality graphics production.
• Experience with a range of electronic structure codes, micro-magnetics and/or model Hamiltonian codes, with a demonstrable ‘under-the-bonnet’ expertise in at least one.
• Excellent spoken and written English, a self-starting approach to reporting and writing, a keen attention to detail, and impeccable scientific integrity, record keeping, and standards.
• Courtesy and respect for all colleagues, collaborators and students, irrespective of their disability, gender identity, sexuality, age, race, civil status, family status, nationality, ethnicity, cultural or socio-economic background.
• The desire to advance electronic structure theory at both a local community and global level, to take the risk and responsibility of carrying out adventurous and original research, and to actively develop your career.

How to apply
All communication concerning this opportunity should be sent to [email protected] with subject line ‘Postdoctoral Researcher in Emergent Magnetism’. Applications must take the form of one single pdf document, comprising:
i. A curriculum vitae / résumé including a complete list of publications and relevant outputs, academic degree results and/or rankings, and any awards, distinctions or relevant experience.
ii. A cover letter explaining your motivation for applying, and you career goals and plans.
iii. A sample of your own scientific writing, e.g. a paper or research thesis chapter.
iv. Contact details of three referees who are informed, willing, and available for contact in regards to your application.

The position will remain open until a suitable candidate is identified. A first round of application assessment will be carried out after a cut-off of Thursday 12th Sept.

References
[1] Al Ma’Mari, F. et al., Proc. Natl. Acad. Sci. U.S.A. 114, 5583 (2017).
[3] Wheeler. M. C. et al., Nat. Commun. 8, 926 (2017).
[2] Al Ma’Mari, F. et al., Nature 524, 69–73 (2015).

Equal Opportunities Policy
Trinity is an equal opportunities employer and is committed to employment policies, procedures and practices which do not discriminate on grounds such as gender, civil status, family status, age, disability, race, religious belief, sexual orientation or membership of the travelling community. On that basis we encourage and welcome talented people from all backgrounds to join our staff community.