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The ITODYS Lab

@itodys.bsky.social

58 followers 51 following 21 posts

The `Interfaces Traitements Organisation et Dynamique des Systèmes' (ITODYS), UMR CNRS 7086 @cnrs.bsky.social, is an interdisciplinary physical chemistry lab of Université Paris Cité upcite.bsky.social.

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The ITODYS Lab @itodys.bsky.social · Jan 17

ITODYS is joining Bluesky and wish you all the best for 2025!

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The CTM Group @ctm-itodys.bsky.social · 16d

Laurine Vasseur is defending her PhD thesis @upcite.bsky.social dealing with the investigation by Mod Mol of the mechanisms of resistance of Gram-Negative bacteries. Go Laurine! Go! @itodys.bsky.social

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The CTM Group @ctm-itodys.bsky.social · 2d

Anastasia DELOVA @itodys.bsky.social @upcite.bsky.social is defending her PhD thesis!

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The ITODYS Lab @itodys.bsky.social · 20d

The SCAN seminar series of the Chemistry Department of @upcite.bsky.social welcomes Dr Laureline SEURRE from Université Gustave Eiffel for the first conference of the year. We will learn more about polymers for micro and nanotechnologies!

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barbault.bsky.social @barbault.bsky.social · 21d

It's time to listen the conference of Tom Miclot at COTAW congress in Namur @ctm-itodys.bsky.social @itodys.bsky.social

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Giorgio Mattana @giorgiomattana.bsky.social · 22d

Excited to participate in the #FEMS_EUROMAT_2025 conference in the beautiful city of Granada with Mr. Loup Chopplet. If you’re around, come and see Loup’s talk on thermoelectric devices this afternoon! @itodys.bsky.social

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barbault.bsky.social @barbault.bsky.social · 27d

Congratulations, Dr. Abir Kebabksa @abir-kebabsa.bsky.social for this amazing thesis @ctm-itodys.bsky.social @itodys.bsky.social @upcite.bsky.social @agencerecherche.bsky.social

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thijsstuyver.bsky.social @thijsstuyver.bsky.social · 27d

New paper from our group out in JCTC! We introduce CYCLO70 — a benchmarking set of 70 challenging cycloaddition reactions (Diels–Alder, dipolar, sigmatropic).
👉 doi.org/10.1021/acs.... (1/6)

CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation

Here, a new challenging benchmarking data set for cycloaddition reactions, CYCLO70, is presented and analyzed. CYCLO70 has been generated with the specific aim of being representative of the most chal...

doi.org

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The CTM Group @ctm-itodys.bsky.social · 27d

A warm congratulation to Dr. @abir-kebabsa.bsky.social for having defending her PhD thesis today! @itodys.bsky.social @upcite.bsky.social

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Antonio Monari @antoniomonari.bsky.social · 27d

Congrats to the new doctor abir kebabsa @abir-kebabsa.bsky.social who brilliantly defended her Ph.D. Today @ctm-itodys.bsky.social @itodys.bsky.social @upcite.bsky.social

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Giorgio Mattana @giorgiomattana.bsky.social · Sep 4

Les professeurs Nicolas GIRAUD et Aurélie PERRIER-PINEAU présentent le kick-off de la nouvelle année académique pour le Master de Chimie « Frontiers in Chemistry » #rentrée2025

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The CTM Group @ctm-itodys.bsky.social · Sep 8

We are delighted to announce that @basakkf.bsky.social, PhD student between @buicinmezunlar.bsky.social and @upcite.bsky.social via @antoniomonari.bsky.social @itodys.bsky.social, defended with success thesis. A warm congratulation from all the team Basak!!

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The CTM Group @ctm-itodys.bsky.social · Jul 11

Summer group picture for the special edition of the COTAW conference in Paris @itodys.bsky.social @upcite.bsky.social

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Aug 23

Good news! Singlet-triplet gap in covalently and weakly bound carbenes, a challenging energy difference by DFT, was positively reviewed.

Part of the longstanding collaboration between @ua.es, @chimieparistechpsl.bsky.social, and @itodys.bsky.social (@ctm-itodys.bsky.social)

#theochem #compchem

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Antonio Monari @antoniomonari.bsky.social · Aug 26

Time for Élise Lognon @elognon.bsky.social at @photobiologyeurope.bsky.social #ESPCongress2025 non Asia tic dynamics on dna probes and micro hydration @ctm-itodys.bsky.social @itodys.bsky.social @upcite.bsky.social

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The CTM Group @ctm-itodys.bsky.social · Aug 28

The computational session of the @photobiologyeurope.bsky.social conference starts now with an introducting talk by @antoniomonari.bsky.social @itodys.bsky.social @upcite.bsky.social about state-of-the-art computational approaches to treat photobiological problems! The stage is yours!

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Antonio Monari @antoniomonari.bsky.social · Aug 28

Éric Bremond on stage at @photobiologyeurope.bsky.social #RSPCongress2025 copper and menkes disease @ctm-itodys.bsky.social @itodys.bsky.social @upcite.bsky.social

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The CTM Group @ctm-itodys.bsky.social · Jul 11

Élise, Laurine & Antonio end the special edition of the COTAW conference organized in Paris @upcite.bsky.social @itodys.bsky.social. See you next September in Namur for the next edition!

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Giorgio Mattana @giorgiomattana.bsky.social · Jul 11

Exciting seminar of Prof. @fmolinalopezlab.bsky.social on thermoelectric generators for skin heat harvesting today at @itodys.bsky.social!

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F. Molina-Lopez @fmolinalopezlab.bsky.social · Jul 11

Happy to share a bit of the group’s work about the often “forgotten” link between organic thermoelectric materials and skin-mounted devices with the @itodys.bsky.social group at the @upcite.bsky.social
⁦‪Thanks @giorgiomattana.bsky.social for hosting.
@kuleuvenuniversity.bsky.social

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Jul 9

The CCL (Computational Chemistry List) will close very soon. I still remember my first post there (as a PhD student, 1998 😱) asking about #DFT and non-dynamic correlation. A big thank to Jan for all this work: having such a resource was important in those dates.

#theochem #compchem #quantumchem

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Jun 28

Theor. Chem. Acc. has received almost 500 submissions during the first half of 2025! A big thank you to authors and reviewers.

The recently closed and ongoing special collections are an example of modern trends, contributing to the scope of the journal.

#theochem #compchem #quantumchem

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Jun 19

Theor. Chem. Acc. will dedicate a special issue to the memory of Bogumił Jeziorski, with great colleagues acting as guest editors! Thank you for this nice initiative and for considering this journal as the appropriate forum.

#theochem #compchem #quantumchem

link.springer.com/journal/214

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Juan Carlos Sancho-García @quantumalicante.bsky.social · Jun 5

Our last publication is now online (@jmaterchem.rsc.org) for the field of #OLEDs and organic compounds exhibiting Hund’s rule violation (S1 < T1)

Thanks to @marchgarner.bsky.social to originally compile the NAH159 dataset of compounds, really helpful!

#theochem #compchem

Double-hybrid density functionals applied to a large set of INVEST systems: validating the (SOS1-)PBE-DH-INVEST expressions

We thoroughly assess here the recently developed PBE-DH-INVEST expression and its SOS1-PBE-DH-INVEST variant, both belonging to the family of Double-Hybrid (DH) density functionals, against the NAH159...

pubs.rsc.org

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The CTM Group @ctm-itodys.bsky.social · Jul 4

ITODYS days @itodys.bsky.social: between snake venon and epistemology with @tommiclot.bsky.social

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