We're the Laboratory of Computational Chemistry and Molecular Graphics at Chemistry Dept. @dipchim University of Torino Italy: Piero Ugliengo, Marta Corno &co!
Torino, Italy
Joined March 2022
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Lab of Comp Chem and Mol Graph retweeted
This month's episode of Astrochem Coffee is out now and packed with guests! Co-hosts @Ilsastellar and Alex Byrne interview Jessica Perrero, @Divs_astrowise, and Théo Guillaume about their science, and we take a look at FTMW history in the percolator!
coffee.astrochem.net
Lab of Comp Chem and Mol Graph retweeted
It's a go for the third day at #chitel2024! We start the day with Prof. S. Pantaleone (@labccmg) on the modelisation of drug 💊 delivery systems
Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/arti…
Lab of Comp Chem and Mol Graph retweeted
¿DE DÓNDE VIENE LA LUNA?
Ese orbe que nos ha acompañado por siempre, iluminando nuestras noches y encendiendo la imaginación de amantes, poetas y científicos por igual ¿De dónde ha venido?
Ha habido varias hipótesis que buscan explicarlo.
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© Agencia Espacial Japonesa (JAXA)
Lab of Comp Chem and Mol Graph retweeted
Here we are, folks -> Exploration of the Conformational Scenario for α-, β-, and γ-Cyclodextrins in Dry and Wet Conditions, from Monomers to Crystal Structures: A Quantum-Mechanical Study mdpi.com/2577782 #mdpiijms via @IJMS_MDPI #compchem #cyclodextrins #conformations #qm
You are all invited to the free International workshop and NIS Colloquium “Heterogeneous catalysis based on naturally occurring materials: from prebiotic chemistry to applications” in Torino, 28/11. Register: shorturl.at/ekCM5 @RimolaAlbert #prebioticchem #hydroxyapatite
Join us at the free workshop: “Heterogeneous catalysis based on naturally occurring materials:
from prebiotic chemistry to applications” in presence 28/11 Torino, "aula Copernico" Department of Molecular Biotechnology and Health Sciences, via Nizza 52, nis.unito.it/colloquia/NIS_2…
Well done @marta_bee and thanks to the amazing coworkers @Riccardo_Ferre Dr Stefano Pantaleone Cecilia Gho Prof Valentina Brunella #cyclodextrinmodelling #multiscale #quantummechanics #xTB #DFT #hostguest #polymers #scienceisfun #scienceisexchange – at Milan, Lombardy
I had the great pleasure to present our recent and challenging work on cyclodextrin modelling to a stimulating and inspiring audience at sites.google.com/site/molsim… Precious workshop both for science and friendships! #compchem #cyclodextrin #modelling #xtb
Lab of Comp Chem and Mol Graph retweeted
Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates | ACS Earth and Space Chemistry pubs.acs.org/doi/10.1021/acs…
Stefano Pantaleone rocks! Well done @labccmg @NBalucani @RimolaAlbert @QuantumGrain #compchem #schreibersite
Lab of Comp Chem and Mol Graph retweeted
Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/arti…
Well done Niccolò Bancone &co! @labccmg @QuantumGrain @RimolaAlbert #compchem #prebioticchem #hcn #forsterite #cosmicgrains
The XLIX Congress of the Physical Chemistry Division of the Società Chimica Italiana was held from Monday 4th to Thursday 7th September in Torino, with great contributions from many scientists all over Italy but not only! Thanks to everyone who attended!
The XLIX Congress of the Physical Chemistry Division of the Società Chimica Italiana has just started with a gorgeous welcome by our #labccmg leader Prof Piero Ugliengo! #congress #physicalchemistry #societachimicaitaliana #Torino @unito @dipchim – at Turin, Piedmont
#Clima ed #energia: quali #scelte per il #futuro?
In occasione del 49 Congresso Nazionale dei Chimico Fisici, cercheremo risposte martedì 5 settembre alle 18 nell’aula Magna della Cavallerizza Reale @unito insieme a @CentroScienza
Siete tutti invitati!
centroscienza.it/settimanede…
What about quantum mechanics? #astrobiology #quantummechanics #compchem #Schrödinger #harteee #fock #born #Oppenheimer #compchem – at Rome, Lazio
Piero is always a superstar! #compchem #astrobiology #astro #astrochemistry #molecularsimulation #modelling – at Rome, Lazio
Secondo giorno del VII Convegno della Società Italiana di Astrobiologia. Apre il Prof. Piero Ugliengo @labccmg
Lab of Comp Chem and Mol Graph retweeted
Don't forget: for a reaction to take place in the interstellar medium, it must be exothermic 😉
📡⚗️🌟
@DawnOrganic @labccmg
The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic doi.org/10.3847/1538-4365/ac… via @AAS_Publishing
During ACO Congress we had also the pleasure to listen to Stefano, our wizard of ab-initio molecular dynamics, and more! No more secrets for hydrogen on ice… amazing! #compchem #panta #aco2023 #astrochemistry #aimd #hydrogenation #energydissipation #ice – at Toulouse, France
Lab of Comp Chem and Mol Graph retweeted
Virtual Reality, Real Science @ Toulouse ACO conference #astrochemistry
Now it’s time for the youngest: Vittorio @VittorioB_ has clearly (and poetically!) explained how to accurately compute binding energies for S-bearing species @beyond_2p @NBalucani Well done! #compchen #phdstudents #astrochemistry #ACO #ACOcongress #petitprince – at Toulouse, France
How about prebiotic phosphorous on the early Earth? Marta has told us something about Schreibersite and water by #compchem at the #ACO Congress @marta_bee, recalling that science at #labccmg is real fun thanks to our young people! – at Toulouse, France
Our mentor and group leader, Piero, has delivered an amazing invited lecture on #compchem in #astrochem at the #ACO conference in Toulouse! #astrochemistry #scienceisfun – at Toulouse, France
