Lorenzo Cupellini

174 posts

Lorenzo Cupellini

@LCupellini

Theoretical and computational chemist, young researcher. Piano and photography enthusiast. (Find me at that other site 🦋 )

Katılım Temmuz 2018

457 Takip Edilen715 Takipçiler

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Lorenzo Cupellini@LCupellini·15 Kas

For the first time, we set up a #compchem first-principles strategy to simulate the transient absorption #spectroscopy of light-harvesting complexes in 🍃☀️#photosynthesis We also got a few ideas for analyzing energy transfer pathways 🔃 Congrats! @pierma_saraceno and @slamavl

Molecolab Pisa@MolecolabPisa

Exciton dynamics and femtosecond spectroscopy simulations of large multichromophoric systems? Check out our new @JChemPhys paper, where @pierma_saraceno provided a first-principles simulation of transient absorption spectroscopy of CP29! doi.org/10.1063/5.0170…

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Lorenzo Cupellini@LCupellini·4 Eyl

@giovannini_t @ERC_Research @unitorvergata Congratulations Tommaso! Well deserved!

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Tommaso Giovannini@giovannini_t·4 Eyl

I am truly honored to share that I have been awarded an @ERC_Research Starting Grant! During #CHOPIN, we will develop fully atomistic multiscale models to predict the mechanisms of plasmonic catalysis, paving the way to more efficient & sustainable chemistry. @unitorvergata

European Research Council (ERC)@ERC_Research

📣 The ERC Starting Grant call results are out! Find out which early-career researchers will receive funding, what they will be investigating, where they will be based... plus lots of other #ERCStG facts & figures for 2025! ➡️ europa.eu/!89nG4M 🇪🇺 #HorizonEurope

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Molecolab Pisa@MolecolabPisa·4 Eyl

Molecolab at #ESPCongress2025 @EurSocPhotobiol molecolab.dcci.unipi.it/molecolab-esp-… @LCupellini Laura Pedraza and @pierma_saraceno

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Molecolab Pisa@MolecolabPisa·28 Ağu

Mariastella's work on the electron transfer in the cryptochrome of birds has been selected as the front cover of today’s issue of @JPhysChem Letters! doi.org/10.1021/acs.jp… with @LCupellini @patrizia_mazzeo @ACSPublications #MyACSCover

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Molecolab Pisa@MolecolabPisa·18 Ara

Our computational study on a fatty acid photodecarboxylase is out in @JACS_Au #openaccess. • Check out what drives the electron-transfer and decarboxylation in this exciting #photoenzyme! pubs.acs.org/doi/10.1021/ja… #QMMM #molecolab #compchem #photobiocatalysis @LondiGiacomo

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Lorenzo Cupellini@LCupellini·5 Kas

I'm very happy that this work is finally out! We showed that a simple ML/MM interaction ansatz can deliver great results for excited-state dynamics in different solvents! @patrizia_mazzeo @AArcidiacono_ @ECignoni

Molecolab Pisa@MolecolabPisa

Electrostatic embedding #moleculardynamics with #machinelearning! • Check out our new #openaccess @digital_rsc, where @patrizia_mazzeo built a machinery to run ML/MM simulations for ground and excited state: doi.org/10.1039/D4DD00… #MLMM #protontransfer #compchem #molecolab

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Lorenzo Cupellini@LCupellini·9 Eki

Congratulations @BMennucci !

Molecolab Pisa@MolecolabPisa

Prof. Benedetta Mennucci was appointed as corresponding member to the “Accademia Nazionale dei Lincei”! • Congratulations boss!! @BMennucci • ➡️lincei.it/it/node/11019 #molecolab #moleconews #compchem #theoreticalchemistry

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Filippo Lipparini@Fil_Lipparini·30 Tem

Very excited to have this paper out, where we show that using a polarizable embedding makes a *qualitative* difference when computing optical rotation! Check it out: #compchem #AMOEBA #OpticalRotation pubs.acs.org/doi/10.1021/ac… @LCupellini @chiarapelosi_12 @MicheleNottoli1

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The Journal of Physical Chemistry@JPhysChem·1 Haz

A new approach combining machine learning and molecular dynamics allows first-principles simulations of excitation energy transfer and transient absorption in the major LHCII antenna complex of plants. @MolecolabPisa @Lcupellini go.acs.org/9C5

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Molecolab Pisa@MolecolabPisa·30 Nis

Can we use #machinelearning to understand solvatochromism? In our new #openaccess @JPhysChem, @AArcidiacono_ combined supervised and unsupervised ML with QM/MM calculations to investigate carotenoid excited states in different environments. doi.org/10.1021/acs.jp…

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Nicoletta Liguori@nikinikki87·25 Nis

Dear network, please help us RT🙏🫶 we are looking for an experienced hands-on ultrafast time-resolved spectroscopist for an open postdoc position in our group to develop together novel tools for photosynthesis and bioenergetics🌷🌞

ICFO@ICFOnians

📢WE'RE HIRING! ICFO's Photon Harvesting in Plants and Biomolecules group led by Prof Nicoletta Liguori (@nikinikki87) offering a #postdoctoral position in novel ultrafast spectroscopy methods for photosynthesis and bioenergetics. Send your applications👉 jobs.icfo.eu/?detail=895

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Lorenzo Cupellini@LCupellini·17 Nis

How does a giant antenna complex funnel energy? With @TjaartKrueger @michal_gwizdala we learnt some lessons from the cyanobacterial! With #compchem we resolved terminal emitters and excited-state equilibration in phycobilisome cores. #preprint at doi.org/10.26434/chemr…

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Lorenzo Cupellini@LCupellini·9 Nis

Thanks to @paulvictorsauer Markus Sutter, @NogalesLab @TinaDomnguez and everyone involved for the amazing collaboration! Structural biology and #compchem can really complement each other for the study of #photosynthesis

Molecolab Pisa@MolecolabPisa

One step closer to understanding photoprotection in cyanobacteria. Great collaboration with @paulvictorsauer @NogalesLab and Kerfeld lab! We use high-res #CryoEM and #compchem QM calculations to uncover phycobilisome quenching by OCP. doi.org/10.1126/sciadv… #OpenAccess

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Molecolab Pisa@MolecolabPisa·14 Kas

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Molecolab Pisa@MolecolabPisa·29 Şub

Tackling excited-state #machinelearning predictions with a hybrid model: @ECignoni and @Divya_Suman14 combined ML predictions of molecular Hamiltonians with time-dependent linear response! doi.org/10.1021/acscen… Fantastic collaboration with @lab_COSMO!

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Molecolab Pisa@MolecolabPisa·29 Şub

Elena presenting her talk at #virapid2024 @virapid She shows how to compute & simulate transient absorption spectra for light-harvesting complexes with #compchem #machinelearning