CompNanoCat

Our Computational Chemistry Research Group works applying Quantum Chemical Methods to analyze the Structure and Reactivity of Chemical Systems.

[Aleix Comas @aleixcv]

Check out our recent paper published at @PCCP about BCC Cu NPs.
"BCC-Cu Nanoparticles: From a Transient to a Stable Allotrope by Tuning Size and Reaction Conditions" https://t.co/xDlVKjhLlb

[Gerald D. Wildermuth @GDWmuth]

Agusti Lledos, @geqo_rseq 2018 Medal on stage @ICCC_2022. A forever-young spirit for science!!!
PS. Keeps challenging the outfit at conferences with his highly colored shirts! No one can beat him!

[RSEQ @RSEQUIMICA]

🔊Postdoctoral Position. CatSyNanoMat group
Universitat Autònoma de Barcelona
🗓️ Fecha límite/Deadline: 30/09/2022
➡️https://t.co/EyWrUKBhPF

[LaiaFF @LaiaFraFor]

Postdoc position to work in a very interesting project #solarfuels 🌱☀️ #chemistry

[Seloxcat @seloxcat]

Great postdoc opportunity to work at the @UABBarcelona in the CatSyNanoMat group together with us in a collaborative EU project. Details 👇 #postdocposition #solarfuels #chemistry

[Lab of Comp Chem and Mol Graph @labccmg]

Piero masterfully illustrating astrochemistry results in a keynote contribution to the 48th National Congress of Physical Chemistry https://t.co/aaDE3dvX4P @RimolaAlbert @tinacci_lorenzo @NBalucani #astrochemistry #labccmg #compchem #astrochemicalorigins

[InsiliChem @insilichem]

Many congrats to Laura Tiessler @ltiessler, who won one of the best presentation awards of the Computation symposium at @BienalGranada22 🎉🎉🎉🎉

[CompNanoCat @CompNanoCat]

@josan_bcn presenting his work on new tools to explore the chemical space at the @bienalgranada. Well done Jose!!
@CompBioNanoCat @insilichem

[CompNanoCat @CompNanoCat]

Great talk by L. Tiessler from @CompBioNanoCat and @insilichem at the Computation symposium of the @BienalGranada22

[Xavier Solans @XSolansMonfort]

A new collaboration with the grup of Josefina Pons. Thanks for invinting me to participate in this nice project.
https://t.co/OQZfXOsawD

[María Escudero Escribano @MariaEscEsc]

It’s finally official! I’m thrilled to share that I’ll join @icn2nano as an ICREA @icreacommunity Research Professor in September!

Can’t wait to start a new chapter in Barcelona and do exciting science on novel electrocatalyst nanomaterials @ERC_Research

https://t.co/OCD60RKi1Q

[Xavier Solans @XSolansMonfort]

Delighted to see our latest computational work on the oxygen evolution reaction with IrO2 nanoparticles already accessible on Journal of Catalysis @Dagonzalezfo @CompBioNanoCat https://t.co/4KQLK9rtsp

[Jordi Sort @sort_jordi]

We are hiring! We are looking for motivated PhD students and postdocs to work in the field of magnetoelectric materials for data security. 'REMINDS' Project: Advanced Grant from the European Research Council!

[Ricardo Jiménez Veigas @JimenezVeigas]

Definición de precariedad del director de la Agencia Estatal de Investigación @AgEInves. Un desperdicio de talento, ilusión y entrega de tantos investigadores. Aún mucho por aprender de nuestros países vecinos… @_FPalazon @marearojainvest @neurofregides @CienciaConFutur

[Societat Catalana de Química @scq_iec]

Això és en una setmana! 🔥

T’hi has apuntat ja?

[Xavier Solans @XSolansMonfort]

Happy to see the work of our colleagues including calculations from us already online in Inorg. Chem. @CompBioNanoCat @InorgChem @UABBarcelona https://t.co/1utUIcY7ap

[CompNanoCat @CompNanoCat]

Our new preprint on the Activity of IrO2 Nanoparticles for the Oxygen Evolution Reaction is out in @ChemRxiv
https://t.co/6dDzVps4f4

[Societat Catalana de Química @scq_iec]

Conferència plenària de la 12a Trobada de joves investigadors dels Països Catalans per part del Dr. Aleix Comas-Vives (@aleixcv): "Reptes i oportunitats en la modelització dels catalitzadors heterogenis". #Química @univgirona @UABBarcelona @UdGCiencies @FCienciesUAB

[JCIM & JCTC Journals @JCIM_JCTC]

First-Principles Modeling of Protein Surface Interactions. Polyglycine Secondary Structure Adsorption on the #TiO2 (101) Anatase Surface Adopting a Full Periodic Approach
https://t.co/E0Wm8eEpyE
@RimolaAlbert
#current_issue #compchem

[InsiliChem @insilichem]

Our latest paper on Multiscale modelling of artificial metalloenzymes has been accepted in @Faraday_D 🎉🎉🎉 A long journey that started several years ago with @Mat_TR's TFG. Congrats to all the authors and enjoy the reading: https://t.co/2MHvSjYYrR