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Maren Podewitz @podewitzlab.bsky.social · Aug 28

How to get accurate redox potentials? @michael11.bsky.social shows explicit solvent is key! #QBIC7

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Maren Podewitz @podewitzlab.bsky.social · Aug 28

🏆 QBIC Award 2024 ist awarded to Mariusz Radoń. Congratulations 🎉🎊

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Maren Podewitz @podewitzlab.bsky.social · Aug 28

Day 3 of QBIC: 🏆QBIC Award Winner 2023 Prof. Anastassia Alexandrova. Congratulations 🎊 🎉

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Maren Podewitz @podewitzlab.bsky.social · Aug 27

Day 2 of QBIC at Erwin Schrödinger Center of @humboldtuni.bsky.social now speaking Ragnar Björnesson.

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Reposted by Maren Podewitz

Matthias Stein @matthiasstein.bsky.social · Aug 27

Day 2 of QBIC VII in Berlin took off: great science, poster session tonight.

Maren Podewitz @podewitzlab.bsky.social · Aug 26

QBIC 7 starting today. Looking forward to 4 days of science bridging theory and experiment. @humboldtuni.bsky.social #compchem @matthiasstein.bsky.social @verakrewald.bsky.social

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Reposted by Maren Podewitz

FACCTs @faccts.de · Aug 27

Great to see many of our collaborators and friends from the ORCA community including Michael Römelt, Dimitrios Pantazis, @podewitzlab.bsky.social, @letigonzalez.bsky.social, @kulikgroup.bsky.social, and many more at the QBIC VII in Berlin, Germany!

#QBICVII #CompChemSky #ChemSky #ORCAqc #ORCA

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Maren Podewitz @podewitzlab.bsky.social · Aug 26

Strong opening by Wonwoo Nam #qbic7 @humboldtuni.bsky.social

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Maren Podewitz @podewitzlab.bsky.social · Aug 26

QBIC 7 starting today. Looking forward to 4 days of science bridging theory and experiment. @humboldtuni.bsky.social #compchem @matthiasstein.bsky.social @verakrewald.bsky.social

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Maren Podewitz @podewitzlab.bsky.social · Aug 7

What happens in @chemistry-tuw.bsky.social and @universityofhawaii.bsky.social join forces?
You work on ice 🧊.
Check out our new publication on the UV-vis redshirt of carbonic acid in gas phase vs. bulk.
doi.org/10.1002/cphc...

doi.org

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Maren Podewitz @podewitzlab.bsky.social · Jul 30

🔊How reliable, reproducible and reusable are your computational chemistry data?
Check out our recent perspective on that topic. #compchem #chemicaldata #dataforml @chemistry-tuw.bsky.social @tuwien.at

Nature Synthesis @natsynth.nature.com · Jul 28

Perspective article now online:

Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles by Maren Podewitz @podewitzlab.bsky.social

www.nature.com/articles/s44... ($)

#Chemsky

Generating reliable and reproducible data for reusable quantum chemical reaction free-energy profiles - Nature Synthesis

The guidance of experimental studies with computational exploration of reaction mechanisms has become a key tool in chemistry. This Perspective highlights challenges and best practices for generating ...

www.nature.com

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Maren Podewitz @podewitzlab.bsky.social · Jun 16

@letigonzalez.bsky.social

Maren Podewitz @podewitzlab.bsky.social · Jun 16

#compchem #Berlin #QBIC

Maren Podewitz @podewitzlab.bsky.social · Jun 16

🔊 Call for contributed talks - QBIC VII
Join us in Berlin Aug 26 - 29, 2025 for the Quantum Bio-Inorganic Chemistry bringing together experts from theory and experiment. Submit your abstract by JULY 1st, 2025. pages.cms.hu-berlin.de/roemeltm/qbi...

QBIC VII

pages.cms.hu-berlin.de

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Reposted by Maren Podewitz

Leticia González @letigonzalez.bsky.social · Jun 12

An excellent PhD defense by David Hernandez today!
With a great panel of reviewers: Daniel Escudero from @leuvenup.bsky.social and @podewitzlab.bsky.social from @tuwien.at
Congratulations! 👏👏👏

@catalight.bsky.social
@fwf-at.bsky.social
@dfg.de
@univie.ac.at

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Reposted by Maren Podewitz

Barak Hirshberg @barakhirshberg.bsky.social · Mar 26

Almost done with the symposium 😭
One before last, but not least, @podewitzlab.bsky.social on predictive operando computational catalysis

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Reposted by Maren Podewitz

GiovanniMaria Piccini @giovannimpiccini.bsky.social · Mar 26

It’s been a fantastic happy hour for our enhanced sampling symposium at #ACSSpring2025

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Maren Podewitz @podewitzlab.bsky.social · Mar 23

Amazing experimental work by Tommy Magauer & his team,where we used DFT to elucidate the mechanism. 💻⌨️🖱

Nature Chemistry @natchem.nature.com · Mar 19

Non-enzymatic methylcyclization of alkenes, from Thomas Magauer, Maren Podewitz @podewitzlab.bsky.social and their team:
www.nature.com/articles/s41...
#chemsky