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PhD studentship in Machine-Learning and First-Pr ... (No replies)

1 month ago
lunghia 1 month ago

A fully funded 4-year PhD studentship is available at the School of Physics, Trinity College Dublin, Ireland ( The position is sponsored by the European Research Council through the Starting Grant AI-DEMON: Artificial Intelligence Design of Molecular Nano-Magnets and Molecular Qubits. The aim of this five-year project is to push the boundaries of the state-of-the-art in the computational modelling of magnetic molecules and design new compounds with optimal properties. The interaction between spins and phonons is one of the main limits to the development of spin quantum technologies. In this project, we will use first-principles and machine-learning methods to unravel the details of spin-phonon coupling and develop new magnetic molecules with long spin coherence and lifetime[1-4]. The project will be developed by the group of Dr Lunghi at the School of Physics, Trinity College Dublin, and in close collaboration with leading experimental groups in the field, such as the groups of Prof. Sessoli ( and Prof. Torre ( at the University of Florence. The project will also avail of collaborations with the CRANN ( and AMBER ( research centres, in particular with the groups of Prof. Sanvito and Prof. Wolfgang Schmitt.

The Project
The appointee will take part to a 4-year PhD program in Physics hosted by Trinity College Dublin and, together with other members of the research group, they will have the opportunity to be a key player in a cutting edge research project. The appointee will receive a top-class training in computational physics/chemistry and machine learning and will develop a very innovative research profile in computational condensed-matter physics. Among the main tasks, they will be expected to contribute to the overall efforts of the research group by developing a computational framework able to predict the relaxation time of molecular spins. This will involve the design of novel software that brings together machine-learning and ab-initio methods, liaise with experimental collaborators, and publish scientific papers in the main international journals.

Selection Criteria

• A BSc or an MSc in Physics, Chemistry, or another related scientific discipline, with at least a 2.1 honours grade from an Irish university or equivalent result from a university in another country.
• Understanding of the basic principles of quantum mechanics and/or electronic structure theory and/or microscopic theory of magnetism;
• Experience in the use of Unix/Linux environments and at least a basic knowledge of one programming language. Preferred programming languages are Fortran(standard 2003 or later), Python, Julia and C/C++;
• Respect for all colleagues, collaborators and students, regardless of their personal status and back-ground;
• Good spoken and written English and the ability to work both independently and in a team;
• Strong motivation to advance the project by proactively developing personal ideas.


• Experience in the use of electronic structure and/or molecular dynamics modelling software.


Application Procedure
All the correspondence regarding this position, including informal inquiry and formal application, should be addressed to Dr Alessandro Lunghi ([email protected]).

Applications must include:
1) A cover letter detailing how you meet the selection criteria for the post;
2) A complete academic CV;
3) A sample of scientific output, e.g. a chapter of the thesis;
4) The e-mail contacts of at least two referees who have agreed to provide a reference letter;

Review of the applications will start on the 1st of November at the latest and the position will remain open until a suitable candidate is identified. The first round of interviews is expected to be held no later than the 1st of December and will be held remotely. The selected candidate will be invited to enrol in the PhD programme to start no later than 1st of March 2021. The enrollment process may involve an English assessment and further reference checks (

Selection Procedure
The studentship includes a stipend of EUR 18,500/year and College fees for both EU and non-EU students.

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.

[1] Science Advances, 5, eaaw2210, 2019.
[2] The Journal of Physical Chemistry C, 124, 5802-5806, 2020.
[3] Science Advances, 5, eaax7163, 2019.
[4] The Journal of Physical Chemistry Letters, 11, 6273–6278, 2020.

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Ab initio (from electronic structure) calculation of complex processes in materials