Alessandro Lunghi
@lunghiale.bsky.social
Ass't Prof. in Physics, Trinity College Dublin. Interested in the theory of Spin Relaxation, Open Quantum Systems, Electronic Structure, and Machine Learning
Reposted by Alessandro Lunghi
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
Please share!
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
www.ucd.ie
November 13, 2025 at 2:24 PM
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
Reposted by Alessandro Lunghi
Come join our team at Trinity College Dublin's @tcddublin.bsky.social School of Physics, where we are hiring two new Assistant Professors, one in Physics (experimental) and one in Astrophysics.
See www.tcd.ie/hr/vacancies/ and www.tcd.ie/physics/
Please share! #physics #academicjobs #physicsjobs
See www.tcd.ie/hr/vacancies/ and www.tcd.ie/physics/
Please share! #physics #academicjobs #physicsjobs
Vacancies - Human Resources - Trinity College Dublin
www.tcd.ie
November 25, 2025 at 5:51 PM
Come join our team at Trinity College Dublin's @tcddublin.bsky.social School of Physics, where we are hiring two new Assistant Professors, one in Physics (experimental) and one in Astrophysics.
See www.tcd.ie/hr/vacancies/ and www.tcd.ie/physics/
Please share! #physics #academicjobs #physicsjobs
See www.tcd.ie/hr/vacancies/ and www.tcd.ie/physics/
Please share! #physics #academicjobs #physicsjobs
A beautiful slow-relaxing chiral Dy SMM by Zhu, Tang and collaborators, with simulations by L. Mariano. Congrats!
@erc.europa.eu
pubs.acs.org/doi/10.1021/...
@erc.europa.eu
pubs.acs.org/doi/10.1021/...
Chiral Dysprosium-[7]Helicene Macrocycles Showing Record Single-Molecule Magnet Properties in the Lanthanide–Helicene Family
Chiral helicene-based metal complexes have emerged as an extremely promising class of multifunctional molecules for a wide range of applications. Despite significant progress in the synthesis of helic...
pubs.acs.org
November 11, 2025 at 7:07 AM
A beautiful slow-relaxing chiral Dy SMM by Zhu, Tang and collaborators, with simulations by L. Mariano. Congrats!
@erc.europa.eu
pubs.acs.org/doi/10.1021/...
@erc.europa.eu
pubs.acs.org/doi/10.1021/...
What really drives electron spin decoherence in molecular crystals at low-T? Nuclear or Electron spins?
Turns out you have do magnetically dilute your samples quite a bit if you want to really remove electron-electron dipolar interactions...
pubs.aip.org/aip/jcp/arti...
Turns out you have do magnetically dilute your samples quite a bit if you want to really remove electron-electron dipolar interactions...
pubs.aip.org/aip/jcp/arti...
Spin decoherence in molecular crystals: Nuclear vs electronic spin baths
The loss of information about the relative phase between two quantum states, known as decoherence, strongly limits resolution in electron paramagnetic spectrosc
pubs.aip.org
October 1, 2025 at 2:44 PM
What really drives electron spin decoherence in molecular crystals at low-T? Nuclear or Electron spins?
Turns out you have do magnetically dilute your samples quite a bit if you want to really remove electron-electron dipolar interactions...
pubs.aip.org/aip/jcp/arti...
Turns out you have do magnetically dilute your samples quite a bit if you want to really remove electron-electron dipolar interactions...
pubs.aip.org/aip/jcp/arti...
Reposted by Alessandro Lunghi
So happy this piece is finally out! A tremendous collaborative effort of colleagues and friends from 8 institutions all over Europe. Thank you! doi.org/10.1038/s414...
Photochemistry and photophysics in a single crystal @jagiellonskiuni.bsky.social @cleracr.bsky.social @natcomms.nature.com
Photochemistry and photophysics in a single crystal @jagiellonskiuni.bsky.social @cleracr.bsky.social @natcomms.nature.com
September 29, 2025 at 11:52 PM
So happy this piece is finally out! A tremendous collaborative effort of colleagues and friends from 8 institutions all over Europe. Thank you! doi.org/10.1038/s414...
Photochemistry and photophysics in a single crystal @jagiellonskiuni.bsky.social @cleracr.bsky.social @natcomms.nature.com
Photochemistry and photophysics in a single crystal @jagiellonskiuni.bsky.social @cleracr.bsky.social @natcomms.nature.com
Reposted by Alessandro Lunghi
This Friday is #EuropeanResearchersNight ⚗️🧪Come visit us and other research groups @TCD_Chemistry
in @tcdTBSI @TCD_Chemistry @tcddublin.bsky.social . Everyone is welcome 📢! Great science and fun people 👨🔬👩🔬😀#porphyrins #chlorophyll #cubane #BODIPY #PDT #bicyclopentane @researchireland.ie
in @tcdTBSI @TCD_Chemistry @tcddublin.bsky.social . Everyone is welcome 📢! Great science and fun people 👨🔬👩🔬😀#porphyrins #chlorophyll #cubane #BODIPY #PDT #bicyclopentane @researchireland.ie
September 23, 2025 at 3:15 PM
This Friday is #EuropeanResearchersNight ⚗️🧪Come visit us and other research groups @TCD_Chemistry
in @tcdTBSI @TCD_Chemistry @tcddublin.bsky.social . Everyone is welcome 📢! Great science and fun people 👨🔬👩🔬😀#porphyrins #chlorophyll #cubane #BODIPY #PDT #bicyclopentane @researchireland.ie
in @tcdTBSI @TCD_Chemistry @tcddublin.bsky.social . Everyone is welcome 📢! Great science and fun people 👨🔬👩🔬😀#porphyrins #chlorophyll #cubane #BODIPY #PDT #bicyclopentane @researchireland.ie
Reposted by Alessandro Lunghi
#chemjobs #compchem
Assistant Professorship in Theoretical Chemistry at University of Cambridge
www.ch.cam.ac.uk/job/52637
Assistant Professorship in Theoretical Chemistry at University of Cambridge
www.ch.cam.ac.uk/job/52637
University Assistant Professor | Yusuf Hamied Department of Chemistry
Applications are invited for a University Assistant Professor to work in the area of theoretical chemistry, broadly defined, to be taken up in October 2026 (or earlier, by agreement). The successful a...
www.ch.cam.ac.uk
September 10, 2025 at 11:06 PM
#chemjobs #compchem
Assistant Professorship in Theoretical Chemistry at University of Cambridge
www.ch.cam.ac.uk/job/52637
Assistant Professorship in Theoretical Chemistry at University of Cambridge
www.ch.cam.ac.uk/job/52637
Reposted by Alessandro Lunghi
Happy to share my latest collaborative work from @mpip-mainz.mpg.de
Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers - Advanced Optical Materials - Wiley Online Library advanced.onlinelibrary.wiley.com/doi/10.1002/...
Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers - Advanced Optical Materials - Wiley Online Library advanced.onlinelibrary.wiley.com/doi/10.1002/...
Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers
Ligands are key to passivate the surface of CsPbBr3 nanocrystals, but not all are equally effective. Beyond the insulating nature of alkyl chains, the interaction between a ligand's anchoring group a...
advanced.onlinelibrary.wiley.com
August 27, 2025 at 6:23 PM
Happy to share my latest collaborative work from @mpip-mainz.mpg.de
Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers - Advanced Optical Materials - Wiley Online Library advanced.onlinelibrary.wiley.com/doi/10.1002/...
Optimizing Carrier Balance in CsPbBr3 Nanocrystal LEDs: The Role of Alkyl Ligands and Polar Electron Transport Layers - Advanced Optical Materials - Wiley Online Library advanced.onlinelibrary.wiley.com/doi/10.1002/...
A preprint from a collaborazion with Qian-Cheng Luo from the group of Yan-Zhen Zheng:
"Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K"
chemrxiv.org/engage/chemr...
"Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K"
chemrxiv.org/engage/chemr...
Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K
Dysprosium-based single-molecule magnets (SMMs) exhibit large values of magnetic anisotropy and large coercive fields, offering the potential to support magnetic information storage at the molecular l...
chemrxiv.org
July 31, 2025 at 10:40 AM
A preprint from a collaborazion with Qian-Cheng Luo from the group of Yan-Zhen Zheng:
"Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K"
chemrxiv.org/engage/chemr...
"Supramolecular Interactions Modulate Raman Relaxation in D5h Symmetric Dy(III) Single-Molecule Magnets Opening the Magnetic Hysteresis up to 50 K"
chemrxiv.org/engage/chemr...
The work of Lion, Zahra and Lorenzo
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.europa.eu
pubs.acs.org/doi/10.1021/...
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.europa.eu
pubs.acs.org/doi/10.1021/...
Generating New Coordination Compounds via Multireference Simulations, Genetic Algorithms, and Machine Learning: The Case of Co(II) and Dy(III) Molecular Magnets
The design of coordination compounds with target properties often requires years of continuous feedback loop between theory, simulations, and experiments. In the case of magnetic molecules, this conve...
pubs.acs.org
July 29, 2025 at 2:11 PM
The work of Lion, Zahra and Lorenzo
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.europa.eu
pubs.acs.org/doi/10.1021/...
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.europa.eu
pubs.acs.org/doi/10.1021/...
A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits
Now published in JPC A
Excellent job by @arups.bsky.social 👏👏
@erc.europa.eu and MSCA
pubs.acs.org/doi/10.1021/...
Now published in JPC A
Excellent job by @arups.bsky.social 👏👏
@erc.europa.eu and MSCA
pubs.acs.org/doi/10.1021/...
pubs.acs.org
July 29, 2025 at 11:29 AM
A Multireference Picture of Electronic Excited States in Vanadyl and Copper Tetraphenyl Porphyrin Molecular Qubits
Now published in JPC A
Excellent job by @arups.bsky.social 👏👏
@erc.europa.eu and MSCA
pubs.acs.org/doi/10.1021/...
Now published in JPC A
Excellent job by @arups.bsky.social 👏👏
@erc.europa.eu and MSCA
pubs.acs.org/doi/10.1021/...
New preprint out:
"Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets"
arxiv.org/abs/2507.20716
@erc.europa.eu
"Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets"
arxiv.org/abs/2507.20716
@erc.europa.eu
Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets
Spin-phonon interaction is known to drive magnetic relaxation in solid-state systems, but little evidence is available on how it affects coherence time. Here we extend fourth-order quantum master equa...
arxiv.org
July 29, 2025 at 5:48 AM
New preprint out:
"Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets"
arxiv.org/abs/2507.20716
@erc.europa.eu
"Fourth-order quantum master equations reveal that spin-phonon decoherence undercuts long magnetization relaxation times in single-molecule magnets"
arxiv.org/abs/2507.20716
@erc.europa.eu
Mariano teaching us how to compute vibronic coupling
July 25, 2025 at 2:36 PM
Mariano teaching us how to compute vibronic coupling
The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets
Just made it into @chemicalscience.rsc.org
A work in collab with Rajaraman's group at IITB
@erc.europa.eu
pubs.rsc.org/en/Content/A...
Just made it into @chemicalscience.rsc.org
A work in collab with Rajaraman's group at IITB
@erc.europa.eu
pubs.rsc.org/en/Content/A...
The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets
This study presents the first-ever investigation of spin-phonon coupling mechanisms in fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with DFT calculations. While lanth...
pubs.rsc.org
June 9, 2025 at 7:42 AM
The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullerene Single Molecule Magnets
Just made it into @chemicalscience.rsc.org
A work in collab with Rajaraman's group at IITB
@erc.europa.eu
pubs.rsc.org/en/Content/A...
Just made it into @chemicalscience.rsc.org
A work in collab with Rajaraman's group at IITB
@erc.europa.eu
pubs.rsc.org/en/Content/A...
Optical control of spin states in magnetic molecules:
A few thoughts on a rapidly evolving and very promising research topic from myself and Matteo Atzori
www.sciencedirect.com/science/arti...
A few thoughts on a rapidly evolving and very promising research topic from myself and Matteo Atzori
www.sciencedirect.com/science/arti...
Optical control of spin states in magnetic molecules
Optical methods stand out as one of the most promising approaches to initialize and read-out spin states in molecules. Herein we critically review ear…
www.sciencedirect.com
June 6, 2025 at 1:31 PM
Optical control of spin states in magnetic molecules:
A few thoughts on a rapidly evolving and very promising research topic from myself and Matteo Atzori
www.sciencedirect.com/science/arti...
A few thoughts on a rapidly evolving and very promising research topic from myself and Matteo Atzori
www.sciencedirect.com/science/arti...
Reposted by Alessandro Lunghi
Great taste of Irish food, beer and music at @ecmols2025.bsky.social dinner at #merryploughboypub
June 3, 2025 at 7:49 PM
Great taste of Irish food, beer and music at @ecmols2025.bsky.social dinner at #merryploughboypub
Reposted by Alessandro Lunghi
Here we go with our first speaker in the final session of day2 with Prof. Elke Scheer from University of Konstanz #ECMOLS2025
June 3, 2025 at 3:30 PM
Here we go with our first speaker in the final session of day2 with Prof. Elke Scheer from University of Konstanz #ECMOLS2025
Reposted by Alessandro Lunghi
The second day of #ECMolS2025 concluded with the final session, featuring a compelling talk by Prof. Pascal Gehring from Université catholique de Louvain
June 3, 2025 at 4:16 PM
The second day of #ECMolS2025 concluded with the final session, featuring a compelling talk by Prof. Pascal Gehring from Université catholique de Louvain
Reposted by Alessandro Lunghi
Third speaker from the 2nd session on Day2 is delivered by Prof. Mathias O. Senge from @tcddublin @TCD_Chemistry #ECMolS2025
June 3, 2025 at 11:14 AM
Third speaker from the 2nd session on Day2 is delivered by Prof. Mathias O. Senge from @tcddublin @TCD_Chemistry #ECMolS2025
Reposted by Alessandro Lunghi
Our first speaker (tutorial speaker) for the morning session on Day2 is Prof. Fernando Luis from the University of Zaragoza #ecmols2025
June 3, 2025 at 8:10 AM
Our first speaker (tutorial speaker) for the morning session on Day2 is Prof. Fernando Luis from the University of Zaragoza #ecmols2025
Reposted by Alessandro Lunghi
Continuing with more insights from the poster session at #ECMolS2025
June 2, 2025 at 9:17 PM
Continuing with more insights from the poster session at #ECMolS2025
Reposted by Alessandro Lunghi
📢 Poster Session Highlights | day one of #ECMolS2025
We had a dynamic and intellectually rich poster sessions at the day end with vibrant exchange of ideas, visuals, and conversations. Thanks to all who presented and participated!
📸 Swipe through to see some moments from the session.
We had a dynamic and intellectually rich poster sessions at the day end with vibrant exchange of ideas, visuals, and conversations. Thanks to all who presented and participated!
📸 Swipe through to see some moments from the session.
June 2, 2025 at 8:35 PM
📢 Poster Session Highlights | day one of #ECMolS2025
We had a dynamic and intellectually rich poster sessions at the day end with vibrant exchange of ideas, visuals, and conversations. Thanks to all who presented and participated!
📸 Swipe through to see some moments from the session.
We had a dynamic and intellectually rich poster sessions at the day end with vibrant exchange of ideas, visuals, and conversations. Thanks to all who presented and participated!
📸 Swipe through to see some moments from the session.
Reposted by Alessandro Lunghi
Some more glimpses of today's poster session at #ECMolS2025
June 2, 2025 at 8:52 PM
Some more glimpses of today's poster session at #ECMolS2025
Reposted by Alessandro Lunghi
Let's dive in for more peeks at the poster session at #ECMolS2025
June 2, 2025 at 8:59 PM
Let's dive in for more peeks at the poster session at #ECMolS2025
Reposted by Alessandro Lunghi
Time for another round of poster session highlights at #ECMolS2025
June 2, 2025 at 9:02 PM
Time for another round of poster session highlights at #ECMolS2025