Research Scientist @UCD | AI-driven materials discovery 🤖 | Quantum materials, spintronics & generative AI | MOFs for energy | Formerly @TCD
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Happy to share I’ve joined @UCD as a Research Scientist! Grateful for wonderful years at @TCD especially @AleLunghi’s support and trust. I’ll continue collaborating with the TCD team while joining @CaffreyNuala’s group on Quantum LEGO, using AI to study MOFs for energy solutions.
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Zahra Khatibi retweeted
The work of Lion, @khatibi_za and @ALoreMariano
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 🔥🔥
@ERC_Research
pubs.acs.org/doi/10.1021/jac…
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#ECMOLS2025 was an excellent experience. Feeling so proud of what we accomplished through months of hard work. A big thanks to @AleLunghi for the opportunity and trust in us:)
It's a wrap for @ECMolS2025 🥳🥳 Amazing organizagion work of Zahra Lore Nilanjana Silvia Arup Conor Cathal Asmita Lion and Valerio 👏👏👏👏
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Zahra Khatibi retweeted
Our second speaker in the third session for the final day is none other than Dr. Lorenzo Mariano from @tcddublin @TCD_physics @ALoreMariano #ECMOLS2025
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Spin waves reached Dublin’s shore! We heard a very interesting talk about magnetic layers and spin waves this morning on the second day of #ECMOLS 2025. #TCD
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Excellent talk by @matteobriganti2 on exploring the molecular islands and spin signatures from the university of Florence here at #ECMOLS 2025
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New paper is out!
☄️ Just out as preprint:
Generating new coordination compounds via mutlireference simulations, genetic algorithms and machine learning: the case of Co(II) molecularnmagnets.
arxiv.org/abs/2504.13749
Great work by Lion @khatibi_za and @ALoreMariano
@ERC_Research
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Zahra Khatibi retweeted
Great news! 🔔 If you missed the abstract submission deadline for #ECMolS2025, here’s your chance! We've extended the deadline for oral contributions until Friday, March 7, 2025.
Don’t miss this opportunity to share your work at Trinity College Dublin, submit your abstract! ✨🍀
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Zahra Khatibi retweeted
Looking forward to welcoming everybody for the upcoming @ECMolS2025. This year in Dublin!! @ssanvito @DroghetAd
The 4th European Conference on Molecular Spintronics is coming to Dublin this year! Join us from the 2nd to the 4th of June @tcddublin @TCD_physics
Follow us for news or click on the webpage below to see the programme and travel info!
linkedin.com/events/ecmols20…
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Let's go!
Very glad to be awarded one extreme-scale supercomputing project 🥳 @EuroHPC_JU @PRACE_RI
Looking forward to seeing @ALoreMariano @khatibi_za and Lion burn 32M coreh and screen some hundred-thousands single-molecule magnets 🧲🧲
@TCD_physics @ambercentre @ERC_Research
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Zahra Khatibi retweeted
🧲🧲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 @ALoreMariano!!
@ERC_Research @TCD_physics @ambercentre @cranntcd
arxiv.org/abs/2409.04418
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Zahra Khatibi retweeted
Antonio Lorenzo Mariano presents the role of excited states in spin-lattice relaxation of Cr(V) qubits
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Bit of a late post. I had a great time at the #AI4AM event. It was wonderful to catch up with friends at ICN2 after a year and talk about exciting AI-assisted material discovery. Kudos to Lion for the hard work, and a special thanks to @AleLunghi for all the support.
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Zahra Khatibi retweeted
Super proud of work from PhD students Luisa and Conor, proposing a way to laser-cool using diamond vacancies to previously unattainable temperatures. Just out as an editor's suggestion in @PhysRevLett: journals.aps.org/prl/ @TCD_physics
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Zahra Khatibi retweeted
Delighted to be here in Barcelona at the inaugural edition of the #AI4AM conference. @StephanSroche opens proceedings - as we begin 3 days of fantastic talks - with a note about our special issue: iopscience.iop.org/collectio…
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Zahra Khatibi retweeted
"The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules"
arxiv.org/abs/2407.01380
...is out as preprint after more than two years of development and simulations, enjoy!
@ERC_Research @TCD_physics @ambercentre @cranntcd
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Had a fantastic training session yesterday with brilliant TY students. was full of laughter and curiosity. Hope we've sparked an interest in physics in the next generation of Irish college students. Big congratulations to everyone who took part, and special thanks to @mairead_mh.
Q: What does a tomato🍅 , chihuahua 🐕 and dinosaur 🦕 have in common? 🧐A: They were all used by @ambercentre @cranntcd researchers with our TY student group today to explore properties of materials 🔬🧑🔬 ⚛️
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