
Institute of Theoretical and Computational Chemistry @UniBarcelona Member of @SOMM_alliance
Barcelona
Joined November 2012
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The 2026 Meeting of the Institut de Química Teòrica i Computacional (IQTC), scheduled for November 2nd and 3rd, will promote the opportunity of showing and discussing the IQTC's research work.
Program, registration and poster submits links here: iqtc.ub.edu/news/iqtc-meetin…
IQTCUB retweeted
Ready to start the #QIES2026 meeting in #inorganic and #solidstare #chemisyry in #zamora and show the latest results of our group on the design of #spincrosover systems assisted by #compchem tools! @QuimicaUB @IQTCUB @GEQI_RSEQ – at Zamora, Spain
IQTCUB retweeted
Just accepted in @InorgChem! We explore with #compchem tools the ligand chemical space of the [Cr(Tpmᴿ)₂]²⁺ #spincrossover family and how electronic and steric effects tune its properties. Congratulations @arnau_garcia5 and Paula! @IQTCUB @QuimicaUB
doi.org/10.1021/acs.inorgche…
IQTCUB retweeted
Check out our latest collaboration with @pnmartinho and @BijoyDe64777504 on Carbazole-Functionalized Fe(III) #SpinCrossover Complexes Exhibiting Fluorescence Quenching, now out @DaltonTrans @QuimicaUB @IQTCUB
doi.org/10.1039/D6DT00705H
IQTCUB retweeted
Ayer impartí la conferencia "La Luz (1): Las radiaciones que nos rodean" dentro del programa GaudirUB.
¿Vivimos en un "mar invisible"? Sí: el espectro electromagnético nos rodea y es clave saber cómo interactúa.
¡Gracias al público por participar! 🔬✨
IQTCUB retweeted
Ahir vaig participar a Gaudir UB amb la ponència “Els materials que ens envolten: l’evolució silenciosa cap a la modernitat”. 🏛️✨
Un plaer compartir com la química i els materials impulsen silenciosament la nostra vida quotidiana. 🧪🔬
Gràcies per l’interès i el debat! 🙌
IQTCUB retweeted
How do stacking interactions determine the selectivity of unnatural DNA base pairs? Recently published in ACS Physical Chemistry Au @ACSPublications @Organica_UB @IQTCUB pubs.acs.org/doi/full/10.102…
IQTCUB retweeted
Noncovalent interactions in a phenol molecular balance. Just published in @ChemAsianJ with @fmbickelhaupt @Organica_UB @IQTCUB aces.onlinelibrary.wiley.com…
IQTCUB retweeted
Jus published in @angew_chem ! Could you imagine a molecular rearrangement involving migration in the boron cage? Great collaboration w D. Tu & H. Yan @njuniversity and @miquelsola @IQTCUB @Organica_UB @UniBarcelona onlinelibrary.wiley.com/doi/…
IQTCUB retweeted
An exciting journey through an unprecedented rearrangement in boron cages is now out in @angew_chem. Another collaboration with D. Tu & H. Yan from @njuniversity and @jordipoater @IQTCUB
@IQCCUdG @miquelsola onlinelibrary.wiley.com/doi/…
IQTCUB retweeted
Bones notícies en la recerca de les malalties infeccioses!🦠 🔬
Un equip internacional, amb la #InvestigadoraICREA @CRovira_Bcelona (@IQTCUB), ha dissenyat una família de molècules que inactiven una proteïna essencial del virus de la grip.👏
web.ub.edu/ca/web/actualitat…
IQTCUB retweeted
Un nou mètode amplia el potencial d’una família de compostos (carborans) en medicina i ciència dels materials. @IQTCUB @IQCCUdG @DIMOCAT_iqcc web.ub.edu/ca/web/actualitat…
IQTCUB retweeted
Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals, published in J Comput Chem @WileyCTChem onlinelibrary.wiley.com/doi/… @Organica_UB @IQTCUB
IQTCUB retweeted
Published in @OrgChemFront "Carbon-carbon to boron-nitrogen isosterism enables switching toward fused 3D/2D magnetically aromatic systems" pubs-rsc-org.sire.ub.edu/en/… with @_ZahraNoori @IQTCUB @Organica_UB
Family photo on the final day of ESMolNa & ESAM 2026 in Gandía.
The joint 19th European School on Molecular Nanoscience and 3rd European School on Advanced Materials closed after a week of scientific exchange, advanced training and collaboration in molecular nanoscience, advanced materials and 2D materials.
The schools are part of the final intensive training period of two interuniversity master’s degrees coordinated by @ICMol_UV and @UV_EG : the Master in Molecular Nanoscience and Nanotechnology and the Master in Advanced Materials.
These programmes bring together leading universities and research centres including @ICMol_UV, @IUMAUA , @imdeanano , @IQTCUB , @ciqususc , @iMATUS_USC and @INMAdivulga, together with participating universities such as @UV_EG , @UA_Universidad , @UAM_Madrid , @InfoUMA , @upvehu , and @unizar
Organised by @ICMol_UV and Advanced Materials Spain, with the support of Advanced Materials Spain, the María de Maeztu Excellence Unit, @generalitat , the Plan de Recuperación, Transformación y Resiliencia, @CienciaGob , #NextGenerationEU, @RSEQUIMICA and @_GENAM Grupo Especializado en Nanociencia y Materiales Moleculares.
Thank you to all speakers, participants, organisers, collaborating institutions and sponsors who made this edition possible.
#ESMolNa #ESAM2026 #W2DM2026 #MolecularNanoscience #AdvancedMaterials #Nanoscience #ICMol #UniversitatdeValència
IQTCUB retweeted
Looking forward to teaching at the @IQTCUB @QuimicaUB #compchem modelling courses this July!
A great opportunity to explore how theory and simulations connects with chemistry
📅 July 7–13 & 14–17
📍 In-person
See you there!
Details & registration 👇
IQTCUB retweeted
This year even with an 11F eclipsed by the education strike, today I've got the chance to go to the school Eulàlia Bota to talk about the science we do🧬🦠🖥️👩🏽🔬 #PetitesMiradesUB
@IQTCUB
IQTCUB retweeted
Also, the Beatriu de Pinós call is open, these grants offer 3 years postdoc positions in Catalan research centers. If anybody is interested in joining us, send me a DM!
You can find all the info here: tramits.gencat.cat/en/tramit…
IQTCUB retweeted
Are you interested in a PhD combining computational inorganic chemistry, ML and AI? 💻⚛️🤖
If so, you can apply to the 2026 PREDOCS-UB within @CompInorgChemUB group by February 13th. Check out the requisites here: ub.edu/beques/3rcicle/PREDOC… or just get in touch!!
@QuimicaUB @IQTCUB
IQTCUB retweeted
Another year teaching #DFT for the @EM_TCCM students. Many thanks to everyone who put this course together and to the @fcienciasuva staff for setting up everything! @IQTCUB @QuimicaUB

















