Marcelo Tavares

Computational Chemist, runner, amateur cook & foodie (not necessarily in this order)

[Marcelo Tavares @protchelo]

Finally out @WIREs_Reviews. Great collab with @Lab_initio.

https://t.co/7fEfoURVwc

[Nature Reviews Chemistry @NatRevChem]

The automated red pen https://t.co/4H7SNFdoUP 🧪

[Marcelo Tavares @protchelo]

Delighted to share that our new article has been published in Nat. Rev. Chem. 🤖📝

Expanding the conversation around AI in education. How AI is changing assessment and marking; and why validation, transparency and human oversight matters.

https://t.co/laj07co5QE

[Marcelo Tavares @protchelo]

@ScholarshipfPhd yes

[Marcelo Tavares @protchelo]

And we're in Bratslava with @NLussari poster. #icqc2023 @juaragon @atabraga Cristina Barboza

[Nati Lussari 🇧🇷🍼🌹 @NLussari]

Have not yet the chance to check it and you are in @icqc2023 #bratislava? Just come over! Poster C 51 ^^

[Marcelo Tavares @protchelo]

THRILLED to see our contribution featured in the latest edition of @InorgChemFront
, showcasing the power of hybrid basis sets to rapidly compute energies of organometallic reactions.
Well done team!
@JuAragon @IvannaJuliani
Fans of #StarWars will recognise the #Warp :)

[InorgChemFront @InorgChemFront]

Outside back cover of Issue 8 showcases research from Marcelo T. de Oliveira and co-workers:
"Accelerating computations of organometallic reaction energies through hybrid basis sets"

#Free_to_read at https://t.co/x6KWEIhkKi

[Daisy Shu (she/her/hers) @EyeDaisyShu]

For those who need some inspiration to keep up the grant writing, #ChatGPT has got your back! 🥰 "Persistence will pay off in the end, And your research will be funded, my friend!"

[Andrew Akbashev @Andrew_Akbashev]

Peter Higgs believes he would be regarded as “unproductive" in today’s academic system. He simply wouldn’t be able to “survive” in #science.

On his way to Stockholm to receive a Nobel Prize in 2013, he said the following in an interview to Guardian:

#AcademicTwitter #phdlife

[Marcelo Tavares @protchelo]

https://t.co/5eccmWCKlW

[Marcelo Tavares @protchelo]

Check out our latest contribution showing DFT calculations for organometallic reactions at a reduced cost (3-10x).

"Accelerating computations of organometallic reaction energies through hybrid basis sets"

https://t.co/A5ns5xVacY

[Marcelo Tavares @protchelo]

@GroupQuintana Only in the fictitious world. Like in the "Life of Brian", B3LYP/6-31(d) is not the Saviour or Messiah. It works sometimes, but it also fails a lot. Unreliable.

[Marcelo Tavares @protchelo]

@EdGardner_ dataset though has 35 reactions and 105 datapoints

[Marcelo Tavares @protchelo]

Excited to share our workn in #RSCposter, Twitter Conference 2023 entitled as "Accelerating Computations of Organometallic Reaction Energies through Hybrid Basis Sets" #RSCPhys #RSCInorg #RSCposterlive #compchem #organometallic

[Ed Gardner @EdGardner_]

It's out, the most anticipated #RSCPosterPitch of the year! @alanqf22 has done it again 🤯

[Marcelo Tavares @protchelo]

@EdGardner_ we considered a dataset containing organometallic reactions of various types (e.g., addition, elimination, isomerization) with 9 early and late 3d-5d transition metals.

[Marcelo Tavares @protchelo]

@QPratz_chem ... but the hybrid basis set approach described can be applied to virtually any code.

[Marcelo Tavares @protchelo]

@QPratz_chem @EdGardner_
@CelesteBrady_

[Marcelo Tavares @protchelo]

@QPratz_chem Hi Pratiksha, thanks. We run all calculations on Orca5.