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Congratulations to Davide Cianchino, reaserch assistant at @ChemUnipi in the Molecolab Pisa group, for winning the best poster prize at the international conference "Molecular Electronic Structure 2024"! 🏆 #MES2024

The cake-index is the only one we care about! • Today, we celebrate Davide Cianchino’s first paper: pubs.acs.org/doi/full/10.10… • #molecolab #molecocakes #cholesky #coupledcluster #relativisticcalculations

“Multiscale Computational Modeling of Photoactivated Processes in Photoresponsive Proteins” • @laura_pedraza29 invited speaker at the “SFB 1078 - Protonation Dynamics in Protein Function colloquium” (Freie Universität Berlin). #molecolab #compchem #lightharvesting #rhodopsins

Electrostatic embedding #moleculardynamics with #machinelearning! • Check out our new #openaccess Digital Discovery, 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

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 Giacomo Londi

CFour meets #PolarizableEmbedding! Check out our new paper introducing the interface between #CFour and #OpenMMPol, enabling #CASSCF geometry optimizations and excited-state calculations in a polarizable environment. doi.org/10.1002/jcc.27… #compchem #molecolab Tommaso Nottoli

Take a look at our new computational protocol presented in #JPCB to model #excitedstate lifetime of #lightharvesting complexes! doi.org/10.1021/acs.jp… #molecolab #compchem #theoreticalchemistry #photochemistry Chris John

“An efficient implementation of Coupled Cluster with Cholesky decomposition and point-group symmetry” • Tommaso Nottoli presenting at the “Winter Modeling - From Ab-Initio to Data Driven” in Naples! #molecolab #compchem #coupledcluster #choleskydecomposition #symmetry

“Implementation of Coupled Cluster analytical gradients based on the Cholesky decomposition of ERIs” • Luca Melega presenting at the “Winter Modeling - From Ab-Initio to Data Driven” in Naples! #molecolab #compchem #coupledcluster #cholesky #molecularproperties #gradients

Alessandra Savarese successfully defended her M.Sc. (with honors) working on a theoretical and experimental astrochemistry project! Here between the two very proud advisors! Molecolab Pisa RotCompSpectroscopy@UniBo Cristina Puzzarini 🇺🇦🏳️‍🌈

Patrizia is back—and she brought cake! That's how you make a comeback. Thanks, Patrizia Mazzeo