Spin is among the frontrunners for the physical realization of quantum bits (qubits) and spin-based devices are at the center of an intense research effort for the creation of quantum protocols. The design of spin systems able to retain their quantum properties up to ambient temperature is one of the fields’ primary goals and represents a sine-qua-non condition for the realization of quantum devices based on magnetic units.

The Quantum Materials Dynamics group at Trinity College Dublin addresses core theoretical challenges in this field in order to provide a comprehensive understanding of the atomistic processes leading to spin decoherence and underpinning optical control of spin. A particular focus is devoted to magnetic molecules and solid-state defects. These compounds exhibit some key features, such as the possibility to rapidly manipulate their spin with external fields and a large degree of chemical tunability of their properties.

The group is pioneering the development of a multidisciplinary approach to study the time evolution of spin systems embedded in complex environments by combining open quantum systems theory, ab initio simulations, and machine learning methods. This approach has been successfully applied to the problem of spin-phonon relaxation in molecular spin qubits and solid-state defects.

References:
[1] Science Advances 5, eaax7163 (2019)
[2] The Journal of the American Chemical Society, 143, 13633-13645 (2021)
[3] Science Advances, 8, eabn7880, (2022)
[4] The Journal of the American Chemical Society, 144, 22965-22975 (2022)
[5] Nature Reviews Chemistry, 6, 761-781 (2022)
[6] npj Computational Materials, 9 (1), 120 (2023)
[7] Nature Communications 14 (1), 1653 (2023)

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