Equatorial aminopyridine ligands stabilize an unusual straightly bridging mode in dimeric dysprosium(III) single-molecule magnets Cheng Qian Boron-Chem-Research doi.org/10.1016/j.ccle…

Really excited to share our latest research on dimeric single-molecule magnet in Chinese Chemical Letters. The axial antiferromagnetic couplings greatly suppress the zero-field QTM, making the relaxation times at 2 K prolonged thousands of times.

🧲🧲We've assembled 15000 Co(II) complexes and computed their magnetic anisotropy with casscf. Turns out coordinations higher than 2 could support maximal anisotropy! Amazing effort of Lorenzo Mariano!! European Research Council (ERC) TCD_physics AMBER cranntcd arxiv.org/abs/2409.04418

Excellent effort of Valerio Briganti in designing a machine-learning framework to accelerate ab initio simulations of spin-phonon relaxation by 80%! 🔥🔥🔥 arxiv.org/abs/2410.08912 European Research Council (ERC) TCD_physics AMBER cranntcd

Our high-throughput study of 15k Co complexes in search of record-large zero field splittings is out in J. Am. Chem. Soc. pubs.acs.org/doi/10.1021/ja… Excellent work of Lorenzo Mariano together with Annie Nguyen Valerio Briganti European Research Council (ERC) TCD_physics AMBER cranntcd

Last preprint of the year: The Role of Electron Correlation Beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation By Soumi Haldar & Gagliardi Group in collab. with our own Lorenzo Mariano TCD_physics European Research Council (ERC) arxiv.org/abs/2412.07749

PengBo has led a paper now asap Chemical Science with Zheng and Winpenny UoM Chemistry on rare earth amidinate complexes bridged by benzene tetraanions. 2024 has been quite the year for this type of complex as you'll see from the citations! pubs.rsc.org/en/content/art… Dr Gemma Gransbury

A machine-learning framework for accelerating spin-lattice relaxation simulations 🔥🔥🧲🧲 by Valerio Briganti 🥳 just out in npj Journals European Research Council (ERC) TCD_physics AMBER cranntcd doi.org/10.1038/s41524…

🚨The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling 🧲🧲 Just out in ACS Central Science 🥳🥳 In collaboration with KoehnGroup Van Slageren Group Sarkar Lab European Research Council (ERC) TCD_physics AMBER cranntcd pubs.acs.org/doi/10.1021/ac…

The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets 🧲🧲 just landed in Chemical Science By our own Lorenzo Mariano and in collaboration with Rajaraman's group at IITB European Research Council (ERC) TCD_physics pubs.rsc.org/en/Content/Art…

A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits Now published in The Journal of Physical Chemistry A Excellent job by Arup Sarkar 👏👏 European Research Council (ERC) Marie Skłodowska-Curie Actions pubs.acs.org/doi/10.1021/ac…

The work of Lion, Zahra Khatibi and Lorenzo Mariano Generating New Coordination Compounds via Multireference Simulations, Genetic Algorithms, and Machine Learning: The Case of Co(II) and Dy(III) Molecular Magnets Now out in JACS Au 🔥🔥 European Research Council (ERC) pubs.acs.org/doi/10.1021/ja…