Postdoctoral Researcher in Metal Oxide simulation at Trinity College Dublin (O’Regan)

Applications are invited for a Postdoctoral Researcher position at CRANN Research Institute, Trinity College Dublin, The University of Dublin, Ireland, and associated with AMBER, the Science Foundation Ireland Research Centre for Advanced Materials and BioEngineering Research. The successful candidate will join the Quantum Theory of Materials Group lead by Dr David O’Regan. See http://www.theoryofmaterials.com , https://www.tcd.ie/physics and https://ambercentre.ie/ 

The appointment will be made for 1 year in the first instance, with a competitive annual salary, with employer's pension and social insurance contributions), depending on the successful candidate’s level of prior experience. An immediate start date may be possible.

Project outline
While oxidation of transition metals often causes band-gap opening along with associated magnetic symmetry breaking, there exists a relatively sparsely studied class of metal oxides (and related perovskite and perovskite-like materials) that are metallic and paramagnetic. Some of these can be said to be strongly correlated and remain a challenge to routinely model accurately, however several materials in this class can be reasonably well described at the hybrid-DFT or DFT+U level. In this project, we will focus on these more DFT-accessible materials in this project, but focus on their less well understood properties, exploring and rationalising their temperature-dependent optical, plasmonic, electrical, and/or heat-transport capabilities. The high-temperature regime, and methods for accessing that, are of particular interest. This project may interest a candidate who is already proficient in the incorporation, e.g, of finite-T effects in MBPT, incorporating anharmonic effects in Boltzmann transport calculations, or indeed in MD or ML/AI methods, and who is interested in bringing that expertise, while learning more, to explore an emerging materials class with some independence. There is scope for experimental realisation of promising simulation-based materials ideas, within the SFI AMBER centre.

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, experience with one or more of: first-principles theoretical spectroscopy, many-body and/or density functional perturbation theory, linear-scaling or large-scale DFT, electron-phonon coupling calculations, first-principles thermodynamic modelling of mechanical properties, and/or informatics, high-throughput, or machine learning techniques for materials trends analysis and discovery, particularly in the high-temperature regime.

• Enthusiasm and initiative to develop one’s 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 ones work to the highest standards at relevant scientific events; participating in relevant outreach activities (for which support and training is available), and assisting in the mentorship of students and their research projects.

• Experience in the use of high-performance computing, including shell scripting, and proven experience in high-quality graphics production.

• 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 carry out adventurous and original research.

How to apply
All communication concerning this opportunity should be sent to [email protected] with subject line: Postdoctoral Researcher in Metal Oxide simulation.

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 Monday 7th August.

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.