Arup Sarkar
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arups.bsky.social
Arup Sarkar
@arups.bsky.social
26 followers 33 following 2 posts
Marie Curie Postdoctoral Fellow at Trinity College Dublin| Former Postdoc at Max Planck Polymer Research and UChicago l PhD IIT Bombay
Posts Replies Media Videos
Reposted by Arup Sarkar
lunghiale.bsky.social
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/...
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
arups.bsky.social
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
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
Reposted by Arup Sarkar
quantph-bot.bsky.social
Arup Sarkar, Alessandro Lunghi: A multireference picture of electronic excited states in vanadyl and copper tetraphenyl porphyrin molecular qubits https://arxiv.org/abs/2504.20778 https://arxiv.org/pdf/2504.20778 https://arxiv.org/html/2504.20778
April 30, 2025 at 6:20 AM
Reposted by Arup Sarkar
krxiv-quant-ph.bsky.social
A multireference picture of electronic excited states in vanadyl and copper tetraphenyl porphyrin molecular qubits
https://arxiv.org/pdf/2504.20778
Arup Sarkar, Alessandro Lunghi.
https://arxiv.org/abs/2504.20778
arXiv abstract link
arxiv.org
April 30, 2025 at 4:34 AM
Reposted by Arup Sarkar
arxiv-quant-ph.bsky.social
Arup Sarkar, Alessandro Lunghi
A multireference picture of electronic excited states in vanadyl and copper tetraphenyl porphyrin molecular qubits
https://arxiv.org/abs/2504.20778
April 30, 2025 at 6:19 AM
Reposted by Arup Sarkar
krxiv-cond-mat.bsky.social
Optimizing carrier balance in CsPbBr3 nanocrystal LEDs: The role of alkyl ligands and polar electron transport layers
https://arxiv.org/pdf/2504.21557
Roshini Jayabalan et al.
https://arxiv.org/abs/2504.21557
arXiv abstract link
arxiv.org
May 1, 2025 at 4:33 AM
Reposted by Arup Sarkar
condmatmtrlsci-bot.bsky.social
Roshini Jayabalan, et al.: Optimizing carrier balance in CsPbBr3 nanocrystal LEDs: The role of alkyl ligands and polar electron transport layers https://arxiv.org/abs/2504.21557 https://arxiv.org/pdf/2504.21557 https://arxiv.org/html/2504.21557
May 1, 2025 at 6:09 AM
Reposted by Arup Sarkar
lunghiale.bsky.social
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
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
Reposted by Arup Sarkar
lunghiale.bsky.social
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/...
pubs.acs.org
July 29, 2025 at 11:29 AM
Reposted by Arup Sarkar
lunghiale.bsky.social
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...
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
Reposted by Arup Sarkar
lunghiale.bsky.social
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...
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
Reposted by Arup Sarkar
ecmols2025.bsky.social
Many congratulations to the winners of the Best Poster Awards at #ECMolS2025.
June 4, 2025 at 8:43 PM
Reposted by Arup Sarkar
ecmols2025.bsky.social
Our second speaker in the third session for the last day is Dr. Lorenzo Mariano from @tcddublin @TCD_physics @ALoreMariano #ECMOLS2025
June 4, 2025 at 2:00 PM
Reposted by Arup Sarkar
ecmols2025.bsky.social
Prof. Eva Rentschler from University of Mainz talking about the magnetic molecules at the interface #ecmols2025
June 2, 2025 at 4:34 PM
Reposted by Arup Sarkar
ecmols2025.bsky.social
#ECMolS2025 session kicked off with a welcoming inauguration led by Prof. Alessandro Lunghi.
June 2, 2025 at 9:13 AM
Reposted by Arup Sarkar
ecmols2025.bsky.social
First invited talk of #ECMolS2025 delivered by Prof. Floriana Tuna
June 2, 2025 at 10:25 AM
Reposted by Arup Sarkar
ecmols2025.bsky.social
Our first speaker for Day1 (tutorial speaker) is Prof. Roberta Sessoli
June 2, 2025 at 10:25 AM
Reposted by Arup Sarkar
ecmols2025.bsky.social
First key note lecture delivered by Prof. Mario Ruben
#ECMolS2025
June 2, 2025 at 10:24 AM
Reposted by Arup Sarkar
ecmols2025.bsky.social
First tutorial lecture delivered by Prof. Roberta Sessoli
#ECMolS2025
June 2, 2025 at 10:23 AM
Reposted by Arup Sarkar
lunghiale.bsky.social
Yet another preprint!

A multireference picture of electronic excitations in vanadyl and copper tetraphenyl porphyrin molecular qubits 🔥🔥🔥

Excellent work by @arups.bsky.social 💪💪💪

@erc.europa.eu

arxiv.org/abs/2504.20778
A multireference picture of electronic excited states in vanadyl and copper tetraphenyl porphyrin molecular qubits
The nature of electronic excited states has a deep impact on the dynamics of molecular spins, but remains poorly understood and characterized. Here we carry out a thorough multiconfigurational investi...
arxiv.org
April 30, 2025 at 7:11 AM
Reposted by Arup Sarkar
lunghiale.bsky.social
☄️☄️☄️ Now out as preprint:

Spin decoherence in molecular crystals: nuclear vs electronic spin baths.

Very proud of Conor's first PhD paper 💪💪💪

@erc.europa.eu

arxiv.org/abs/2504.18254
Spin decoherence in molecular crystals: nuclear v.s. electronic spin baths
The loss of information about the relative phase between two quantum states, known as decoherence, strongly limits resolution in electron paramagnetic spectroscopy and hampers the use of molecules for...
arxiv.org
April 28, 2025 at 6:26 AM
Reposted by Arup Sarkar
lunghiale.bsky.social
The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling

Out in ACS Central Science @acs.org

In collaboration with @koehngroup.bsky.social @agvsl.bsky.social & Sarkar

pubs.acs.org/doi/10.1021/...
The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling
Magnetic relaxation in coordination compounds is largely dominated by the interaction of the spin with phonons. Although a comprehensive understanding of spin-phonon relaxation has been achieved for m...
pubs.acs.org
March 13, 2025 at 9:24 PM
Reposted by Arup Sarkar
lunghiale.bsky.social
Valerio's work

A machine-learning framework for accelerating spin-lattice relaxation simulations

Is now out in NPJ Computational Materials

doi.org/10.1038/s415...
A machine-learning framework for accelerating spin-lattice relaxation simulations - npj Computational Materials
npj Computational Materials - A machine-learning framework for accelerating spin-lattice relaxation simulations
doi.org
March 6, 2025 at 8:28 AM
Reposted by Arup Sarkar
mpip-mainz.mpg.de
A new PhD position in computational materials science is available in the group of Denis Andrienko. Read more: andrienko.pages.mpip-mainz.mpg.de/pages/jobs/phd_2025
February 18, 2025 at 3:23 PM
Reposted by Arup Sarkar
ecmols2025.bsky.social
The 4th European Conference on Molecular Spintronics is coming to Dublin this year! Join us from the 2nd to the 4th of June @tcddublin.bsky.social #TCDSchoolOfPhysics 🧲⚛️🖥️

Follow us for news or click on the webpage below to see the programme and travel info! www.linkedin.com/events/ecmol...
ECMolS 2025 Conference | LinkedIn
This is the official LinkedIn event page of the 4th European Conference on Molecular Spintronics (ECMolS 2025) to be held from 2nd to 4th June, 2025 at Trinity College Dublin, Ireland. Following the ...
www.linkedin.com
February 12, 2025 at 10:51 PM