@mgimferrer

Post-Doc at the Institut für Physikalische Chemie @uniGoettingen

 Göttingen, Germany
mgimferrer.github.io/
Joined May 2012
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  • Following218
  • Followers284
5Media
Just published! @ampendas and I explored how NQEs impact real-space chemical bonding indicators. Spoiler: they do change much more than (at least me) expected! #Chembond #compchem Specially dedicated to a friend and co-worker who left us too early 🕊️ pubs.aip.org/aip/jcp/article…

On the impact of nuclear quantum effects on quantum chemical topology

It is well established that nuclear quantum effects (NQEs) can significantly impact the structure and reactivity of molecules containing light nuclei, yet their

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Now that is official... 🫠 Looking forward to working on the awarded "NEXT - Quantum Biology" project from the Volkswagen Foundation! Detailed information in: mpinat.mpg.de/5177404/pr_252…

Controlling chemical reactions in enzymes

The Volkswagen Foundation funds a joint project with nearly two million euros over the next five years focusing on the precision and efficiency of enzymatic reactions.

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A fantastic way to close 2025, and the base for some future directions from our side! 🥳
Albert Poater@APoater25 Nov 2025
sciencedirect.com/science/ar… Italo-German-Catalan challenge... wonderful team, Michele Tomasini, @mgimferrer, Lucia Caporaso. Let's fly this piece for Chemical Bonding.
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Martí Gimferrer retweeted
ICIQ@ICIQchem12 Nov 2025
#ICIQNews 👏🏼 ICIQ welcomes four postdoctoral researchers through Juan de la Cierva Grants 🔝 This initiative aims to support emerging scientists by offering them opportunities to develop their careers. Read 👉🏼 iciq.org/new/iciq-welcomes-f…
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Our work on (local) orbital decomposition of NCI and dispersion interaction densities (o-NCI and o-DID, respectively) has been published in @pccp! pubs.rsc.org/en/content/arti… Thank you everyone who contributed, most importantly @XaizaA and @MaximeFERRER7🥳

NCI orbital decomposition and critical comparison to local correlation schemes†

In this study, we introduce novel orbital decomposition approaches for analyzing non-covalent interactions (NCIs) and dispersion interaction densities (DID

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Our last work with the Göttingen team is online in @ChemicalScience! We explored the use of NEO-DFT for the computational simulation of anharmonic OH vibrational shifts, achieving surprisingly nice results at rather low computational cost 🥳 pubs.rsc.org/en/content/arti…

Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT†

In this work we explore the use of multicomponent methods for the computational simulation of anharmonic OH vibrational shifts. Multicomponent methodologie

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Moltes gràcies!! Que canviat estic... i en només un any de postdoc, porto camisa i tot!🤣
Miquel Solà@miquelsola7 Nov 2024
Premi extraordinari de doctorat de Química UdG 2023 a @mgimferrer. El recull el seu director @pesalse. Moltes felicitats!
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Martí Gimferrer retweeted
IQCC UdG@IQCCUdG17 Jul 2024
Martí Gimferrer @mgimferrer awarded for best PhD thesis 2023 @udgdoctorat @UdGRecerca @TCBioSys @gentudg @univgirona iqcc.udg.edu/2024/07/17/mart…
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I am happy to share that our paper on the first heterobimetallic dimetallocene is finally published in @NatureChemistry! nature.com/articles/s41557-0… Thank you to everyone who contributed, most importantly Inga Bischoff, who did the experimental work, as well as @ICCGroup2 @Tetidanes!
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Chemical bonding characterization using APOST-3D: Official release of the code in @JChemPhys, and runs in parallel!🥳🥳 Special thanks to @pesalse for the opportunity, and all researchers involved in making it evolve. Soon more to come! pubs.aip.org/aip/jcp/article…
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Martí Gimferrer retweeted
Àlex Díaz-Jiménez@adiaz52827 Apr 2024
I am thrilled to share that our latest work on nitrile trifunctionalization using in-situ generated rhodium vinylcarbenes, has been accepted in @ACSCatalysis. @RogerMonreal @APoater @miquelsola @aroglans and A.Pla-Quintana. @IQCCUdG @DIMOCAT_iqcc pubs.acs.org/doi/10.1021/acs…

Synthesis of 1H‑Isoindole-Containing Scaffolds Enabled by a Nitrile Trifunctionalization

Abstract. Nitrogen ring structures are widely found in biologically active compounds and natural products, making their construction an important area of f

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Martí Gimferrer retweeted
Albert Poater@APoater2 Apr 2024
Re story, a puzzle of ALKYNES of Michele Tomasini, Lucia Caporaso @mgimferrer : pubs.acs.org/doi/full/10.102…
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Martí Gimferrer retweeted
Q-Chem@QChemSoftware19 Jul 2023
Force decomposition analysis (FDA), developed by @an_dossary, @YuezhiMao, and @mgimferrer (@mhg_group), decomposes molecular forces into physically-meaningful terms. Read the paper: bit.ly/3JYCjoD FDA is now available in Q-Chem 6.1— request a demo to try it yourself!
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Martí Gimferrer retweeted
⌬ Albert ⌬@alarru12 Jul 2023
Congratulations to this beauty, who finally made it to @J_A_C_S with a short communication! More news on her properties and some more contorted molecules hopefully soon in your favorite #Chem journals.
J. Am. Chem. Soc.@J_A_C_S12 Jul 2023
Overcrowded Triply Fused Carbo[7]helicene | Journal of the American Chemical Society @alarru @CNRS @univamu #TriplyFused #Carbohelicene pubs.acs.org/doi/10.1021/jac…

Overcrowded Triply Fused Carbo[7]helicene

Abstract. This paper presents the synthesis and comprehensive analysis of a highly contorted and doubly negatively curved multihelicene compound, composed

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Martí Gimferrer retweeted
Àlex Díaz-Jiménez@adiaz52826 Jun 2023
I'm really happy to see that our second work involving pyridinium 1,4-thiolates and copper carbenes has been accepted in @JOC_OL . Many thanks to everyone involved: S.C.D. Kennington, @aroglans and A. Pla-Quintana. @IQCCUdG @DIMOCAT_iqcc. pubs.acs.org/doi/10.1021/acs…

Copper(I) Iodide Catalyzed [3 + 3] Annulation of Iodonium Ylides with Pyridinium 1,4-Zwitterionic...

Abstract. The selective assembly of the 1,4-oxathiin nucleus has been treated as a powerful strategy to access this scaffold present in molecules with very

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What we started exploring during my Bachelor's and Master's degree projects (in 2016 and 2017) with @pesalse had a happy ending in @JChemPhys! 🥳 pubs.aip.org/aip/jcp/article…

Exact decompositions of the total KS-DFT exchange–correlation energy into one- and two-center terms

In the so-called Interacting Quantum Atoms (IQA) approach, the molecular energy is numerically decomposed as a sum of atomic and diatomic contributions. While p

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We proposed a strategy to perform "exact" numerical integrations using fuzzy AIMs, and tested its performance while comparing the two IQA schemes which exactly decompose the KS-DFT exchange-correlation energy into one- and two-center terms
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One of the final projects from my thesis is out! We introduced the use of IQA decomposition on each EDA term, aiming at bridging the gap between the two main real- and Hilbert-space methodologies. @Tetidanes @ICCGroup2 @pesalse @JCIM_JCTC @jctc_papers pubs.acs.org/doi/10.1021/acs…

Merging the Energy Decomposition Analysis with the Interacting Quantum Atoms Approach

Abstract. Energy decomposition analysis (EDA) is a well-established approach to dissect the interaction energy into chemically sound components. Despite th

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End of a very special chapter. Thanking again my PhD supervisor @pesalse for the guidance and support, and to the jury members Dr. Anna Plà-Quintana, @notherChemist and @ampendas for not only accepting the invitation but also for the fruitful and enjoyable discussion!!!
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Martí Gimferrer retweeted
IQCC UdG@IQCCUdG21 Mar 2023
PhD defense Martí Gimferrer (@mgimferrer) supervised by Pedro Salvador (@pesalse) Place: Aula Magna – @UdGCiencies Date: March 27, 2023 Time: 11.30h @udgdoctorat @UdGRecerca @gentudg @univgirona iqcc.udg.edu/wordpress/2023/…
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