Marcos Veríssimo Alves
@mverissi.bsky.social
Solid-state computational physicist turned theoretical enzymologist/computational chemist. Cat dad of three.
Pinned
Here's my belated short scientific bio: got my PhD in #ComputationalSolidStatePhysics in 2002 (yikes, am I getting old...) on electromechanical properties of carbon nanotubes and graphene from UFRJ, supervise by Rodrigo B. Capaz. Soon after, I embarked on a series of post-docs (UFSCar - Brazil, +
Reposted by Marcos Veríssimo Alves
15 bookmark-worthy tools for researchers that cost you nothing and will save you time (& nerves) when researching, writing and publishing.
A thread. 🧵
#AcademicSky #Postdoc #PhD
A thread. 🧵
#AcademicSky #Postdoc #PhD
February 27, 2025 at 6:21 PM
15 bookmark-worthy tools for researchers that cost you nothing and will save you time (& nerves) when researching, writing and publishing.
A thread. 🧵
#AcademicSky #Postdoc #PhD
A thread. 🧵
#AcademicSky #Postdoc #PhD
Yes, we can! (This topic is the only politics you'll see from me here - but boy, are the champagne and Orval already chilling in my fridge...)
www.theguardian.com/world/2025/f...
www.theguardian.com/world/2025/f...
Jair Bolsonaro charged over alleged far-right coup plot to seize power in Brazil
Former president has denied breaking the law after police report accused him of organising a conspiracy to stop Luiz Inácio Lula da Silva taking power
www.theguardian.com
February 19, 2025 at 2:23 AM
Yes, we can! (This topic is the only politics you'll see from me here - but boy, are the champagne and Orval already chilling in my fridge...)
www.theguardian.com/world/2025/f...
www.theguardian.com/world/2025/f...
Wouldn't that be awesome 😎
February 5, 2025 at 4:30 AM
Wouldn't that be awesome 😎
Seriously thinking about entering this field with a more physical approach, without leaving quantum chemistry aside. #CompChemSky
🚀 Curious about quantum biology?
Whether you're just starting out or have been deep in the field for years, we’d love to have you in the Quantum Bio DAO Book Club.
We’re kicking things off with Life on the Edge by @jimalkhalili.bsky.social and Johnjoe McFadden.
Details in next thread...
Whether you're just starting out or have been deep in the field for years, we’d love to have you in the Quantum Bio DAO Book Club.
We’re kicking things off with Life on the Edge by @jimalkhalili.bsky.social and Johnjoe McFadden.
Details in next thread...
February 4, 2025 at 6:10 AM
Seriously thinking about entering this field with a more physical approach, without leaving quantum chemistry aside. #CompChemSky
Reposted by Marcos Veríssimo Alves
Our vDZP basis set utilized in the ⍵B97X-3c composite DFT method is now also available via www.basissetexchange.org (API-based: github.com/MolSSI-BSE/b...). 🎉
Many thanks to @Susi Lehtola & coworkers for jointly providing it there!
Many thanks to @Susi Lehtola & coworkers for jointly providing it there!
January 29, 2025 at 4:03 PM
Our vDZP basis set utilized in the ⍵B97X-3c composite DFT method is now also available via www.basissetexchange.org (API-based: github.com/MolSSI-BSE/b...). 🎉
Many thanks to @Susi Lehtola & coworkers for jointly providing it there!
Many thanks to @Susi Lehtola & coworkers for jointly providing it there!
I just watched "The Substance". Could be a good movie; I think it starts well but the ending is such a bad mix of citations to "Carrie" that I finished it with a bad aftertaste. There also seem to be visual citations to "The Shining"; the citations to "Carrie" are understandable but I couldn't (1/n)
January 25, 2025 at 2:28 AM
I just watched "The Substance". Could be a good movie; I think it starts well but the ending is such a bad mix of citations to "Carrie" that I finished it with a bad aftertaste. There also seem to be visual citations to "The Shining"; the citations to "Carrie" are understandable but I couldn't (1/n)
It had been some time since I last watched Star Trek Lower Decks, and this Xmas recess I caught up - just to find out that the series finale had just been released. What an AWESOME animation series, and what marvelous animation. I'll miss it dearly.
December 27, 2024 at 9:51 AM
It had been some time since I last watched Star Trek Lower Decks, and this Xmas recess I caught up - just to find out that the series finale had just been released. What an AWESOME animation series, and what marvelous animation. I'll miss it dearly.
Merry Xmas, everyone! May Santa bring you lots of nice and smooth proton transfers in your QM/MM calculations.
December 24, 2024 at 5:01 PM
Merry Xmas, everyone! May Santa bring you lots of nice and smooth proton transfers in your QM/MM calculations.
Working with DFT for H+ transfer along water chains is probably the most annoying, frustrating and time-consuming task in my #compchem life so far... Damn!
December 22, 2024 at 3:54 PM
Working with DFT for H+ transfer along water chains is probably the most annoying, frustrating and time-consuming task in my #compchem life so far... Damn!
I love watching my cats sleeping. They do it like the little angels they are ❤️
December 16, 2024 at 4:37 AM
I love watching my cats sleeping. They do it like the little angels they are ❤️
Reposted by Marcos Veríssimo Alves
Reposted by Marcos Veríssimo Alves
Watching Senna on Netflix. Only on episode 3, but love it so far. It brings me fond memories of my adolescence and university, when I'd root for him even though races were early. The race scenes are breathtaking, and the soundtrack is simply awesome, fitting race scenes perfectly. Worth the watch!
December 8, 2024 at 3:48 AM
Watching Senna on Netflix. Only on episode 3, but love it so far. It brings me fond memories of my adolescence and university, when I'd root for him even though races were early. The race scenes are breathtaking, and the soundtrack is simply awesome, fitting race scenes perfectly. Worth the watch!
Okay, Bluesky roaster, I'll start posting blends of my cats with the enzyme I'm working on.
blueskyroast.com/roast/mveris...
blueskyroast.com/roast/mveris...
Marcos Veríssimo Alves: The Cat-Dad Physicist Who Measures Life in Atoms and App Downloads
His posts are a lively mix of molecular mayhem and feline finesse.
blueskyroast.com
December 6, 2024 at 3:57 AM
Okay, Bluesky roaster, I'll start posting blends of my cats with the enzyme I'm working on.
blueskyroast.com/roast/mveris...
blueskyroast.com/roast/mveris...
Fixing a lysine residue that escaped me in a geometry optimization that went south... Fingers crossed 🤞🏻🤞🏻🤞🏻🤞🏻🤞🏻 #CompChem #CompChemLife
December 6, 2024 at 2:39 AM
Fixing a lysine residue that escaped me in a geometry optimization that went south... Fingers crossed 🤞🏻🤞🏻🤞🏻🤞🏻🤞🏻 #CompChem #CompChemLife
New Star Wars series on Disney+. Main characters: 4 adolescents. Why, Disney, why? Stop bashing a wonderful story, for chrissakes... As if "The Acolyte" wasn't bad enough.
December 4, 2024 at 11:41 PM
New Star Wars series on Disney+. Main characters: 4 adolescents. Why, Disney, why? Stop bashing a wonderful story, for chrissakes... As if "The Acolyte" wasn't bad enough.
Reposted by Marcos Veríssimo Alves
New video on using the GOAT method to find global minima with Orca and XTB, for a corrole dimer.
#compchem #chemsky
Pls help me share!
youtu.be/GvTNg2gKuZc
#compchem #chemsky
Pls help me share!
youtu.be/GvTNg2gKuZc
Global optimization using Orca6 and GOAT!
YouTube video by nicolas N
youtu.be
September 11, 2024 at 7:35 PM
New video on using the GOAT method to find global minima with Orca and XTB, for a corrole dimer.
#compchem #chemsky
Pls help me share!
youtu.be/GvTNg2gKuZc
#compchem #chemsky
Pls help me share!
youtu.be/GvTNg2gKuZc
I confess. I have an ssh app on my cell phone to check how my calculations are doing while I'm on the move. I guess I take "Dead Poets Society" too seriously.
November 25, 2024 at 10:40 AM
I confess. I have an ssh app on my cell phone to check how my calculations are doing while I'm on the move. I guess I take "Dead Poets Society" too seriously.
Here's my belated short scientific bio: got my PhD in #ComputationalSolidStatePhysics in 2002 (yikes, am I getting old...) on electromechanical properties of carbon nanotubes and graphene from UFRJ, supervise by Rodrigo B. Capaz. Soon after, I embarked on a series of post-docs (UFSCar - Brazil, +
November 24, 2024 at 11:53 PM
Here's my belated short scientific bio: got my PhD in #ComputationalSolidStatePhysics in 2002 (yikes, am I getting old...) on electromechanical properties of carbon nanotubes and graphene from UFRJ, supervise by Rodrigo B. Capaz. Soon after, I embarked on a series of post-docs (UFSCar - Brazil, +
Soon, back to tackling one of my passions: solid state physics (hello again, Si surfaces and its reconstructions!). But first, a quick study on good ol' bulk Si to learn how to calculate its dielectric function with Yambo. #CompChemSky #CompSolidStatePhysics #Yambo #QuantumEspresso #DFT
November 24, 2024 at 10:43 PM
Soon, back to tackling one of my passions: solid state physics (hello again, Si surfaces and its reconstructions!). But first, a quick study on good ol' bulk Si to learn how to calculate its dielectric function with Yambo. #CompChemSky #CompSolidStatePhysics #Yambo #QuantumEspresso #DFT
Two years ago, my Xiaomi smartwatch monitored my daily steps, but it didn't monitor my body functions anymore. Yesterday they started working again, and now I have sleep monitoring data again. Firmware update? Divine intervention? Go figure... I'm just happy it got back to working again.
November 24, 2024 at 6:24 PM
Two years ago, my Xiaomi smartwatch monitored my daily steps, but it didn't monitor my body functions anymore. Yesterday they started working again, and now I have sleep monitoring data again. Firmware update? Divine intervention? Go figure... I'm just happy it got back to working again.
Optimist: the cup is half full
Pessimist: the cup is half empty
QM simulator: what basis set should I use for this cup?
Pessimist: the cup is half empty
QM simulator: what basis set should I use for this cup?
Optimist: The cup is half full
Pessimist: The cup is half empty
MD simulator: Is the cup converged?
Pessimist: The cup is half empty
MD simulator: Is the cup converged?
November 24, 2024 at 4:23 PM
Optimist: the cup is half full
Pessimist: the cup is half empty
QM simulator: what basis set should I use for this cup?
Pessimist: the cup is half empty
QM simulator: what basis set should I use for this cup?
Reposted by Marcos Veríssimo Alves
#compchem Good read: Allosteric Communication Mediated by Protein Contact Clusters: A Dynamical Model #compchemsky pubs.acs.org/doi/10.1021/...
Allosteric Communication Mediated by Protein Contact Clusters: A Dynamical Model
Describing the puzzling phenomenon of long-range communication between distant protein sites, allostery is of paramount importance in biomolecular regulation and signal transduction. It is commonly as...
pubs.acs.org
November 23, 2024 at 7:09 AM
#compchem Good read: Allosteric Communication Mediated by Protein Contact Clusters: A Dynamical Model #compchemsky pubs.acs.org/doi/10.1021/...
Reposted by Marcos Veríssimo Alves
> calculations are plentiful while ideas are few.
Tony Rothman
Tony Rothman
November 22, 2024 at 9:26 PM
> calculations are plentiful while ideas are few.
Tony Rothman
Tony Rothman
Dear #Compchem / #CompchemSky network, I have a request. Does anyone know of open-source/free-of-charge software for performing dynamics with an elastic network model? I'll be very grateful for any indication you may give me.
November 22, 2024 at 11:15 PM
Dear #Compchem / #CompchemSky network, I have a request. Does anyone know of open-source/free-of-charge software for performing dynamics with an elastic network model? I'll be very grateful for any indication you may give me.