Postdoctoral fellowship at Trinity College Dublin in Machine-Learning Design of Molecular Spin Qubits and Nano-Magnets.

Project Background

A 3-year research fellow position is available from September 2022 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 interaction between spins and phonons is one of the main limits to the development of spin quantum technologies and the design of a compound that minimize it is one of the biggest challenges in the field. The overall aim of this 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 group of Prof. Lunghi at Trinity College Dublin is at the forefront of the development of first-principles methods for the prediction of spin-phonon relaxation time in magnetic molecules[1-5]. The group is also strongly pursuing the development of machine-learning schemes for the exploration of structure-magnetic properties maps[6-8], and the appointed postdoctoral researcher will develop generative machine-learning models to steer the design of new compounds with long coherence and spin relaxation times. The project will be developed by the group of Prof. Lunghi at the School of Physics, Trinity College Dublin, (www.tcd.ie/Physics/research/groups/quantum-materials-dynamics/) and in close collaboration with leading experimental groups in the field, such as the groups of Prof. Sessoli (www.lamm.unifi.it) and Prof. Torre (www.lens.unifi.it) at the University of Florence. The project will also avail of collaborations with the CRANN (www.tcd.ie/crann/) and AMBER (www.ambercentre.ie/) research centres, in particular with the groups of Prof. Sanvito and Prof. Wolfgang Schmitt.

Research Fellow Duties

-Development of machine-learning methods for the prediction of molecular properties and the application of generative models to the design of new compounds with long coherence time;

-Closely collaborate with experimental partners;

-Help with the supervision of under/post-graduate students and project development;

-Write manuscript for publication in the main peer-reviewed international journal;-Disseminate results by participating in the main conferences in the field.

Selection Criteria

Essential:

- A Ph.D. (or a recently submitted thesis awaiting evaluation) in Physics, Chemistry, or another related scientific discipline;

-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 one programming language. Preferred programming languages are Python, Julia, C/C++, Fortran2003;

-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.

Highly Desirable:

-Experience in the development of machine-learning models and use of software such as PyTorch or TensorFlow;

Desirable:

-Experience with the use of High-Performance Computing platforms and parallel programming/computing.

-Experience in the use of quantum chemistry and periodic DFT electronic structure codes, such as CP2K, quantum espresso and ORCA;

Application Procedure

All the correspondence regarding this position, including informal inquiry and formal application, should be addressed to Prof. 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 including a full list of scientific output;

3) 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 April at the latest and the position will remain open until a suitable candidate is identified. A first round of interviews is expected to be held no later than the 1st of May and will be held remotely.

Selection Procedure

The appointment will initially be made for 1 year and with a maximum gross annual salary in the order of EUR 42,000. Upon successful performance during this initial period, a two-year extension of the contract will be offered to the candidate. A starting date as early as September 1st 2022 is possible.

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.

References

[1] Science Advances, 5, eaax7163, 2019

[2] The Journal of Physical Chemistry Letters, 11, 6273–6278, 2020

[3] Journal of the American Chemical Society 143 (34), 13633–13645, 2021

[4] arXiv preprint arXiv:2112.09236, 2021

[5] arXiv preprint arXiv:2202.03776, 2022

[6] Science Advances, 5, eaaw2210, 2019.

[7] The Journal of Physical Chemistry C, 124, 5802-5806, 2020

[8] arXiv preprint arXiv:2202.01449, 2022