Lab of Comp Chem and Mol Graph

We're the Laboratory of Computational Chemistry and Molecular Graphics at Chemistry Dept. @dipchim University of Torino Italy: Piero Ugliengo, Marta Corno &co!

[Lab of Comp Chem and Mol Graph @labccmg]

@GiEmmePi1 @JCIM_JCTC @gagliardi8 Congrats Giovanni!

[Lab of Comp Chem and Mol Graph @labccmg]

@QuantumGrain @RimolaAlbert @Berta_Bachs @ChemPhysChem @gerard_pareras Huge and nice effort! Congrats to QG guys

[Lab of Comp Chem and Mol Graph @labccmg]

@astrochemdisc @JPerrero @Ilsastellar @Divs_astrowise Great interview to Jessica Perrero showing how computational chemistry can go hand in hand with experiments in the astrochemical context!

[AstrochemCoffee @astrochemdisc]

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!
https://t.co/FOPX1k0xtP

[Chitel 2024 • Namur 🇧🇪 @Chitel2024]

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

[Lab of Comp Chem and Mol Graph @labccmg]

Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments - now published in Physical Chemistry Chemical Physics https://t.co/VpBI4XygSi

[Lab of Comp Chem and Mol Graph @labccmg]

@NBalucani Ma a Cuneo mai??

[Lab of Comp Chem and Mol Graph @labccmg]

@QuantumGrain @JoanEnrique11 @gerard_pareras How to get the QuantumGrain sweatshirt?

[Universo Recóndito @UnvrsoRecondito]

¿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.
---
© Agencia Espacial Japonesa (JAXA)

[Marta Corno @marta_bee]

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 https://t.co/0Ouxq12Tv9 #mdpiijms via @IJMS_MDPI #compchem #cyclodextrins #conformations #qm

[Lab of Comp Chem and Mol Graph @labccmg]

@LabPavan @mattiaperr Very impressive indeed!

[Lab of Comp Chem and Mol Graph @labccmg]

@RimolaAlbert @Berta_Bachs @QuantumGrain @IJMS_MDPI @ERC_Research Congrats! This is huge

[Lab of Comp Chem and Mol Graph @labccmg]

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: https://t.co/ApFvav2D97 @RimolaAlbert #prebioticchem #hydroxyapatite

[Marta Corno @marta_bee]

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, https://t.co/41FoJyKiek

[Lab of Comp Chem and Mol Graph @labccmg]

@QuantumGrain @RimolaAlbert @gerard_pareras @Mat_TR @VittorioB_ @Berta_Bachs Congrats to all of you guys!

[Lab of Comp Chem and Mol Graph @labccmg]

@marcellobaricco @ufscaroficial @demaufscar @HycareP @dipchim @unito Congrats

[Lab of Comp Chem and Mol Graph @labccmg]

@marcellobaricco @UNavarra @UMontium @HycareP @dipchim @unito Congrats!

[Lab of Comp Chem and Mol Graph @labccmg]

@hasantoxr SEND

[Lab of Comp Chem and Mol Graph @labccmg]

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

[Marta Corno @marta_bee]

I had the great pleasure to present our recent and challenging work on cyclodextrin modelling to a stimulating and inspiring audience at https://t.co/hxhzYH9Lz0 Precious workshop both for science and friendships! #compchem #cyclodextrin #modelling #xtb

[Marta Corno @marta_bee]

Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates | ACS Earth and Space Chemistry https://t.co/KcRfHQcy4u
Stefano Pantaleone rocks! Well done @labccmg @NBalucani @RimolaAlbert @QuantumGrain #compchem #schreibersite

[Marta Corno @marta_bee]

Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study - now published in Physical Chemistry Chemical Physics https://t.co/o2ZXNcoHZ5
Well done Niccolò Bancone &co! @labccmg @QuantumGrain @RimolaAlbert #compchem #prebioticchem #hcn #forsterite #cosmicgrains