Stevan Armaković

Physicist with expertise in materials and molecular modeling, assistant professor, developer of

[Stevan Armaković @armakov]

@ivanastradner Thank you @ivanastradner

[Stevan Armaković @armakov]

🚀 Major update at https://t.co/DkJ9UJgnyJ!
Now with:
🔹 3Dmol.js visualization
🔹 g-xTB & GFN-xTB in-browser
🔹 ML models for ionic liquids
🔹 Additional ORCA & Multiwfn tools
🔹 Ionic Liquids Generator
100% FREE for academic use!
@Sanci14 #chemistry #physics #materialsscience

[Stevan Armaković @armakov]

@Lab_initio Very nice and useful

[Stevan Armaković @armakov]

@aleksey73kuzne1 Congratulations

[Stevan Armaković @armakov]

2024: A year of growth for https://t.co/jegPRxAjgH
17,000+ views, 8,000+ visitors, and over 33,000 calculations performed with our tools - our biggest year yet.

We are using this opportunity to sincerely thank our users, supporters, and contributors for an amazing year.

[Stevan Armaković @armakov]

Update on https://t.co/jegPRxzLr9: Our desktop xtb GUI now integrates with Jmol to enable molecular visualization

#molecular #abinitio #scienceandtechnology #computationalchemistry #moleculardynamics #modelingandsimulation #xtb #computerprogramming @Sanci14

[Stevan Armaković @armakov]

@lewischewis Looks great. Congratulations

[Stevan Armaković @armakov]

Highly recommending this tool

[Mathieu Linares ⏚ @matmirulimarrj]

Hi #compchem people. We are looking for large and original MD trajectories to test the capacities of our software @VIAMD_ and its functionalities. Please contact me if you are willing to share them.

[Stevan Armaković @armakov]

One more tool from https://t.co/jegPRxzLr9 to make molecular modeling easier. Say hello to Online Packmol – build starting systems for MD simulations in a few clicks.
#molecular #abinitio #scienceandtechnology #computationalchemistry #moleculardynamics

[Stevan Armaković @armakov]

@matmirulimarrj @VIAMD_ Great work, I just subscribed to your channel.

[Stevan Armaković @armakov]

🎉 Introducing the GUI for the xtb program! 🚀
Check our desktop application, developed to simplify the setup, execution, and monitoring of calculations with the xtb program.
It's time to say a fond farewell to the command prompt 😊
#Science #education #Chemistry #physics

[Stevan Armaković @armakov]

@matmirulimarrj @caco3cz @JCIM_JCTC Wonderful

[Stevan Armaković @armakov]

@matmirulimarrj @JCIM_JCTC @github You're most welcome. The tutorials are amazing, too. I'm still amazed at how smoothly everything runs with VIAMD. The option to export calculated values to .csv format is extremely helpful. VIAMD is definitely going to be a must-have tool in our group :)

[Stevan Armaković @armakov]

@janhjensen Great list, great work. Thanks a lot.

[Stevan Armaković @armakov]

@ManasSharma07 @janhjensen I would include both to this great list.

[Stevan Armaković @armakov]

🚀 Updates from https://t.co/jegPRxzLr9 🚀
Online RDG scatter plot tool: Get a publication-ready RDG scatter plot with a SINGLE CLICK (just upload your .wfn file obtained by ORCA or Gaussian).
You will also get the func1.cub & func2.cub files necessary to generate RDG surfaces.

[Stevan Armaković @armakov]

@GrimmeLab Wonderful, thanks a lot @GrimmeLab . Who takes credit for the graphical abstract? :)

[Stevan Armaković @armakov]

@jppiquem Very useful paper, thanks a lot @jppiquem