Katarzyna M. Krupka
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kateium.bsky.social
Katarzyna M. Krupka
@kateium.bsky.social
21 followers 28 following 1 posts
MSCA Doctoral Candidate in #PHYMOL network | researching at de Lara-Castells’ #AbinitSim Unit @csic.es | predoc in @ageinves.bsky.social #COSYES project | SMM in @COSY-Action.bsky.social
#artscience
Posts Replies Media Videos
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
🚀 Happy of sharing a new article of the COST Action CA21101 "COSY" about a protocol to calculate infrared spectra of surface-supported metal clusters.

www.tandfonline.com/eprint/ACRXA...
Cluster–support and anharmonic effects in the infrared spectra of Cu5–coronene
Reliable computational protocols capable of predicting infrared (IR) spectra of atomically precise monodisperse metal clusters (AMCs), while explicitly accounting for anharmonic effects, are crucia...
www.tandfonline.com
November 29, 2025 at 10:41 AM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
🚀 Happy to share a new article of the COST Action CA21101 published in the Special Collection of the journal "Small Structures" Curious 🧐
doi.org/10.1002/sstr...
November 22, 2025 at 5:46 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🚀 Registration is OPEN!
@cosy-action.bsky.social Training School: Modeling Potential Energy Functions with Machine Learning & Classical Techniques
📍 Universidade de Coimbra, Portugal
📅 22–23 January 2026
👉 Secure your spot: coimbra-ts-fit-pes.cost-cosy.eu/registration/
@costprogramme.bsky.social
November 19, 2025 at 11:06 AM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🎓 We are happy to announce the 1st COSY Academy Day with a rich program of lectures and practical sessions for early-career researchers ⚛️

📍2–3 X 2025, CSIC Central Campus, Madrid, Spain

🗓️ Register by 3 IX 2025:
cost-cosy.eu/activity/1st...

@costprogramme.bsky.social @costacademy.bsky.social
August 7, 2025 at 2:38 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🌟 Upcoming big @cosy-action.bsky.social Celebration in Bologna! 🌟

📌 3rd General Meeting of the COSY COST Action
🔭 2nd WG5 Meeting – Confined Systems in Astrochemistry

Don’t miss it!
👉 Details here:
cost-cosy.eu/activity/3rd...
cost-cosy.eu/activity/2nd...

@costprogramme.bsky.social
July 3, 2025 at 6:31 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🚀 Boost your research presentation skills!
Join us for the next edition of the “Listen-To-My-Presentation” Workshop!
📅 Date and time: 23 June 2025, 11 AM CET
💻 Format: online  
🎟️ Limited spots available!
👉 Register here: cost-cosy.eu/activity/the...

@costprogramme.bsky.social
June 18, 2025 at 3:24 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🚨 NEW DATE ANNOUNCED! THERE'S STILL TIME TO JOIN US! 🚨

📅 Date: May 15th, 2025
🕘 Time: 09:00-13:00 (GMT+2)
🔗 Register here: cost-cosy.eu/activity/the...

@costprogramme.bsky.social @accosycost.bsky.social @costacademy.bsky.social
May 7, 2025 at 1:16 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
We are delighted to invite you to the @cosy-action.bsky.social 3rd #FemCOSY Webinar!

📅 Date: April 29th, 2025
🕘 Time: 09:00-13:00 (GMT+2)
🔗 Register here: cost-cosy.eu/activity/the...

@costprogramme.bsky.social @accosycost.bsky.social
April 22, 2025 at 10:05 AM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
researchpod.org/informatics-...
Excellence Through Inclusiveness: Shaping the COST COSY Community
Led by María Pilar de Lara-Castells, the COST COSY Action is fostering better inclusiveness across chemistry, physics, and materials science.
researchpod.org
April 12, 2025 at 10:39 AM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
NEW @cosy-action.bsky.social PODCAST ALERT 🚨
Led by @accosycost.bsky.social, COSY brings 400+ researchers together to make science more inclusive - from #FemCOSY to mentorship, excellence grows through inclusiveness. 🤝
🎧 Listen here: researchpod.org/informatics-...
@costprogramme.bsky.social
Excellence Through Inclusiveness: Shaping the COST COSY Community
Led by María Pilar de Lara-Castells, the COST COSY Action is fostering better inclusiveness across chemistry, physics, and materials science.
researchpod.org
April 9, 2025 at 2:22 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
NEW @cosy-action.bsky.social PODCAST ALERT 🚨
Research in WG5 focuses on confined systems in #astrochemistry, exploring molecules in the interstellar medium.
Behind the research: @accosycost.bsky.social, @costprogramme.bsky.social
🎧 Listen to the latest episode here: researchpod.org/informatics-...
Confined systems in astrochemistry
In this episode, we’re looking at research from an interdisciplinary network named COSY, funded by the European Cooperation in Science and Technology (COST) agency.   Their workgroup researching ‘Conf...
researchpod.org
April 7, 2025 at 2:03 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
📢 Mastering Communication Event. Soft Skills for Science in Confined Molecular Systems.
Join the @cosy-action.bsky.social online event on April 3rd to boost your presentation & research promotion skills!
✍ Sign up now: cost-cosy.eu/activity/mas...

@costprogramme.bsky.social
March 17, 2025 at 12:06 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
🚨 Open Call! 🚨 @cosy-action.bsky.social is looking for Leaders & Co-Leaders for new Task-Force Groups!

👥Who?
Senior + Early-Career duos from COSY members (ensuring gender balance)
📩 Get more information and apply at: cost-cosy.eu/open-positio...

@costprogramme.bsky.social
March 11, 2025 at 1:38 PM
Reposted by Katarzyna M. Krupka
pccp.rsc.org
We're incredibly proud to feature so many incredible women in our special collection for International Women's Day 2025 - highlighting some of the excellent women doing research in physical chemistry, chemical physics and biophysical chemistry! Read the collection at pubs.rsc.org/en/journals/...
A collage of some of the women featured in our PCCP International Women’s Day collection.
March 7, 2025 at 6:42 PM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
Are you interested in non-adiabatic effects when open-shell metal clusters interact with other molecules such as the occurrence of Jahn-Teller distortions?. A dispersion-corrected multireference ab-initio treatment has been shown to work well in a case study. Details at:
doi.org/10.1039/D4CP...
Support effects on conical intersections of Jahn–Teller fluxional metal clusters on the sub-nanoscale
The concept of fluxionality has been invoked to explain the enhanced catalytic properties of atomically precise metal clusters of subnanometer size. Cu3 isolated in the gas phase is a classical case o...
doi.org
March 6, 2025 at 2:49 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
COSY paper alert 🚨 "Rotational Excitation Cross Sections for Chloronium Based on a New 5D Interaction Potential with Molecular Hydrogen" is now published in The Journal of Physical Chemistry A @acs.org! Congratulations to All the co-Authors! 🧐 pubs.acs.org/doi/10.1021/... @costprogramme.bsky.social
February 24, 2025 at 7:37 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
Celebrate International Day of Women and Girls in Science with us! ✨
Join #FemCOSY Science in 1 Minute, a video series spotlighting early-stage female researchers in COSY! Share your COSY paper & get featured on our social media.
Register now: cost-cosy.eu/activity/fem...
@costprogramme.bsky.social
February 11, 2025 at 1:47 PM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
🧐 This paper shows that TiO2 nanoparticles filling the pores of a zeolite structure absorb in the visible region of the solar spectrum when decorated with pentamer copper clusters, featuring the photo-induced activation of CO2 too. Just published in @rscadvances.bsky.social

doi.org/10.1039/D4RA...
Functionalization of zeolite-encapsulated Cu5 clusters as visible-light photoactive sub-nanomaterials
The unique structural properties of zeolites make them ideal environments for encapsulating subnanometric metal clusters on their microporous channels and cavities, showing an enhanced catalytic perfo...
doi.org
February 8, 2025 at 12:33 AM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
🧐 If you are interested on a practical post-Hartree-Fock approach aimed to describe the interaction between the smallest open-shell metal clusters and molecular models of carbon-based supports, have a look to our paper recently published in @rscadvances.bsky.social 👇
pubs.rsc.org/en/content/a...
A practical post-Hartree-Fock approach describing open-shell metal cluster-support interactions. Application to Cu3 adsorption on benzene/coronene
Current advances in synthesizing and characterizing atomically precise monodisperse metal clusters (AMCs) at the subnanometer scale have opened up fascinating possibilities in designing new heterogene...
pubs.rsc.org
February 8, 2025 at 12:18 AM
Reposted by Katarzyna M. Krupka
accosycost.bsky.social
If you are curious of what's the effect of the support in conical intersections causing Jahn-Teller distortions in the smallest metal clusters, and their relationship with the property of fluxionality, have a look to our paper featured as a cover in @pccp.bsky.social

pubs.rsc.org/en/content/a...
Support effects on conical intersections of Jahn–Teller fluxional metal clusters on the sub-nanoscale
The concept of fluxionality has been invoked to explain the enhanced catalytic properties of atomically precise metal clusters of subnanometer size. Cu3 isolated in the gas phase is a classical case o...
pubs.rsc.org
February 7, 2025 at 11:58 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
We celebrated a fruitful and inspiring 1st in-person FemCOSY Board Meeting in Madrid! We discussed ideas for the Gender Equality Plan, Good Practices for COSY Meetings, and Gender-Neutral Communication. Important steps ahead for even more inclusive COSY community! 👐
@costprogramme.bsky.social
February 5, 2025 at 9:29 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
COSY paper alert! 🚨
"Functionalization of zeolite-encapsulated Cu5 clusters as visible-light photoactive sub-nanomaterials" by AbinitSim Unit IFF-@csic.es: @kateium.bsky.social, Lenard L. Carroll and @accosycost.bsky.social* is now published in RSC Advances Curious? 🧐
pubs.rsc.org/en/content/a...
January 22, 2025 at 3:28 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
📢 The 1st Face-to-Face @cosy-action.bsky.social Gender Equality Group: #FemCOSY Board Meeting will be held this Friday at the @csic.es Central Campus in Madrid!

Together, we’re building a stronger, more inclusive future for women in science ✋

@costprogramme.bsky.social @accosycost.bsky.social
January 19, 2025 at 9:42 PM
Reposted by Katarzyna M. Krupka
cosy-action.bsky.social
We invite you to the 1st @cosy-action.bsky.social Webinar of the year!
⭐Attila Császár "Spectroscopic Network Assisted Precision Spectroscopy"⭐
Date: 13.01.2025
Time: 3 pm
The abstract and the link to the event will be available at: cost-cosy.eu/activity/3rd...
@costprogramme.bsky.social
January 10, 2025 at 6:26 PM