Computational Inorganic Chemistry group UB @CompInorgChemUB

Inorganic Computational Chemistry Group at the Inorganic Chemistry section of the Universitat de Barcelona and IQTCUB Joined February 2024

Tweets

6
Followers

27
Following

177
Likes

9

Jesus Jover @yisuscience

3 weeks ago

Our new paper has been accepted in @JOC_OL 🥳 Computational Study of a Copper-Catalyzed Synthesis of Fluoroalcohols from Alkylboranes and Ketones Check it out in full open access: pubs.acs.org/doi/10.1021/ac… @FGomezMudarra @IQTCUB @QuimicaUB @CompInorgChemUB

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Frank Gómez @FGomezMudarra

9 months ago

🔬 New paper! We explore Ni-catalyzed organochalcogen synthesis via benzonitrile cross-coupling with computational tools. 💻🧪✨ @CompInorgChemUB @yisuscience @IQTCUB @OrgBiomolChem #Chemistry #Catalysis #ComputationalChemistry 📖 Read here👇👇 pubs.rsc.org/en/content/art…

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Frank Gómez @FGomezMudarra

12 months ago

🌟 Hey @LatinXChem! Excited to present our work “Theoretical Mechanistic Evaluation of Palladium, Nickel, and Copper Catalysts in Suzuki–Miyaura Cross-Coupling” #LatinXChem24 🚀#LatinXChemComp 💻 #LatinXChemOrg ⚗️ #Org047 @QuimicaUB @CompInorgChemUB @IQTCUB @yisuscience

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Jóvenes Investigadores Químicos (JIQ-RSEQ) @JovenesQuimicos

12 months ago

📢Open Call: 2 PhD positions in Organic Chemistry - Universidad de Castilla-La Mancha (Albacete):

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Computational Inorganic Chemistry group UB @CompInorgChemUB

a year ago

Yesteday, @ivkovic_zarko brilliantly defended his TFM thesis: Transfer learning based on atomic feature extraction for the prediction of experimental 13C chemical shifts. Fantastic work and amazing results! Many congratulations Zarko!!

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Computational Inorganic Chemistry group UB @CompInorgChemUB

a year ago

Our first publication as an independent group is out there! Have a look in "Advances in Inorganic Chemistry", access will be free of charge until August 7th. authors.elsevier.com/a/1jHXr_KS356Z… @FGomezMudarra @yisuscience @IQTCUB @QuimicaUB

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Postdoctoral Fellow at @uniud #Compchem Emails: ali.ghiamishomami@rub.de & a.ghiyami@gmail.com

Ali Ghiami @alighiami_sh

24 Followers 160 Following Postdoctoral Fellow at @uniud #Compchem Emails: [email protected] & [email protected]

Jorge Echeverría @EcheverriaChem

411 Followers 436 Following Associate Professor. PI at @unizar @ISQCH. Applied theoretical chemistry. NCIs.

Dr. Deepak Patkar @deepakpatkar738

345 Followers 1K Following Theoretical & Computational Chemist

Luis Rios @Dr_Luis_Rios

23 Followers 263 Following Drug hunter building next-generation computational discovery tools

Shreyosi Saha @ShreyosiSa3589

2 Followers 141 Following

Inorganic Chemist, FRACI @ChemistryUoM @UniMelb @SciMelb 👩‍🔬 🧪 🧲 #MolecularMagnets #ValenceTautomerism #felements #SQUIDForUnimelb 🦑🧲 #OzChem #SciMum

Prof Colette Boskovic @ColetteBoskovic

3K Followers 1K Following Inorganic Chemist, FRACI @ChemistryUoM @UniMelb @SciMelb 👩‍🔬 🧪 🧲 #MolecularMagnets #ValenceTautomerism #felements #SQUIDForUnimelb 🦑🧲 #OzChem #SciMum

#PeerReview #OpenAccess journal by @MDPIOpenAccess, for crystalline material research, including liquid crystals and biomolecular crystals. IF 2.4 (2024)

Crystals MDPI @Crystals_MDPI

2K Followers 7K Following #PeerReview #OpenAccess journal by @MDPIOpenAccess, for crystalline material research, including liquid crystals and biomolecular crystals. IF 2.4 (2024)

Neel Mukherjee @_neel_1691

53 Followers 152 Following IISERB ‘25| @MML_IISERB| Chemistry Coffee and Music 🧪☕️🎧

FuniMat @FuniMat

3K Followers 648 Following Martí-Gastaldo group, Functional Inorganic Materials at @ICMol_UV. PI run account.

Alberto Perez @Al__Perez

1K Followers 2K Following Asst. professor at UF. I use supercomputers to study DNA and proteins.

Supra and Nanostructured Systems group from @QuimicaUB lead by @lrraurell. We work with Au and Pt complexes with luminescent properties and applications.

SuNS Group @GroupSuns

571 Followers 285 Following Supra and Nanostructured Systems group from @QuimicaUB lead by @lrraurell. We work with Au and Pt complexes with luminescent properties and applications.

GEQI-RSEQ @GEQI_RSEQ

93 Followers 153 Following Grupo Especializado de Química Inorgánica de la Real Sociedad Española de Química

Kamran Mahmudov @KamranM22672442

185 Followers 2K Following Noncovalent

machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things

Rubén Laplaza @ruben_laplaza

1K Followers 2K Following machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things

Official account of the Grup de Magnetisme Molecular (MagMol) at the Universitat de Barcelona @QuimicaUb @UniBarcelona.

MagMol_UB. @MagmolU

502 Followers 241 Following Official account of the Grup de Magnetisme Molecular (MagMol) at the Universitat de Barcelona @QuimicaUb @UniBarcelona.

Marina Corbella Morat... @CorbellaMorato

164 Followers 276 Following

Fernando Ruipérez @fer_ruiperez

261 Followers 914 Following Computational chemist in Polymat. Assistant Professor in UPV/EHU

Bull. Chem. React. Eng. Catal. is a journal on the science of catalysis, reaction kinetics, chemical reaction engineering (JIF=1.3; SJR=0.313; CiteScore=3.2)

Bull. Chem. React. En... @bcrec_j

1K Followers 8K Following Bull. Chem. React. Eng. Catal. is a journal on the science of catalysis, reaction kinetics, chemical reaction engineering (JIF=1.3; SJR=0.313; CiteScore=3.2)

Dawid Pinkowicz @OrgMetallics

2K Followers 1K Following photomagnetic | odd | chiral | redox-active | molecules and molecular solids recently chasing chills of chemical bonding

Molecular Nanoscience at Universitat de Barcelona
#WomeninScience
Personal opinions.

For official tweets follow:
@UniBarcelona @QuimicaUB @IN2UB

ECSañudo @ecsanudo.b... @ecsanudo

743 Followers 728 Following Molecular Nanoscience at Universitat de Barcelona #WomeninScience Personal opinions. For official tweets follow: @UniBarcelona @QuimicaUB @IN2UB

Arnau Garcia @arnau_garcia5

67 Followers 115 Following PhD student in Theoretical and Computational Chemistry at @QuimicaUB and @IQTCUB

Frank Gómez @FGomezMudarra

183 Followers 283 Following Ph.D. candidate at @QuimicaUB @IQTCUB | Sport Manager in my free time and @CNSantaPerpetua swimmer

Waser Group @LcsoLab

14K Followers 7K Following Driven by Passion for Chemistry Organic Chemistry Lab @EPFL_CHEM_Tweet @EPFL_en @NCCR_Catalysis @SNE_ChemBio

Research group of Prof. Israel Fernández. Computational Chemistry at the Universidad Complutense de Madrid @unicomplutense email: israel@quim.ucm.es

Israel Fernández Gro... @isra_group

2K Followers 741 Following Research group of Prof. Israel Fernández. Computational Chemistry at the Universidad Complutense de Madrid @unicomplutense email: [email protected]

Jesus Jover @yisuscience

217 Followers 379 Following Associate Professor in Inorganic Chemistry UB & IQTCUB

Jordi Cirera @j_cirera

952 Followers 1K Following Ramón y Cajal researcher @QuimicaUB and @IQTCUB. Theoretical and computational coordination chemistry. Jazz Fusion.

Ramon Bosque @rbosquep

10 Followers 40 Following

Sergio P.F. @sergioperezf

5K Followers 3K Following THE NUCLEAR QUANTUM GRAVITY ☢️ https://t.co/PP4WqWnMVM Interest Score over 99%, 2023 in Researchgate Find me on LinkedIn ↘️

Dr. Deepak Patkar @deepakpatkar738

345 Followers 1K Following Theoretical & Computational Chemist

Crystals MDPI @Crystals_MDPI

2K Followers 7K Following #PeerReview #OpenAccess journal by @MDPIOpenAccess, for crystalline material research, including liquid crystals and biomolecular crystals. IF 2.4 (2024)

Alberto Perez @Al__Perez

1K Followers 2K Following Asst. professor at UF. I use supercomputers to study DNA and proteins.

GEQI-RSEQ @GEQI_RSEQ

93 Followers 153 Following Grupo Especializado de Química Inorgánica de la Real Sociedad Española de Química

Kamran Mahmudov @KamranM22672442

185 Followers 2K Following Noncovalent

MagMol_UB. @MagmolU

502 Followers 241 Following Official account of the Grup de Magnetisme Molecular (MagMol) at the Universitat de Barcelona @QuimicaUb @UniBarcelona.

Asociación de asesoría a investigador@s También en BlueSky 🦋oficinaintegridadcientifica@gmail.com y DM. Podcast

Oficina Española de ... @OIntegridadEsp

8K Followers 896 Following Asociación de asesoría a investigador@s También en BlueSky 🦋[email protected] y DM. Podcast "El Elefante en el Campus”

Marina Corbella Morat... @CorbellaMorato

164 Followers 276 Following

Fernando Ruipérez @fer_ruiperez

261 Followers 914 Following Computational chemist in Polymat. Assistant Professor in UPV/EHU

Bull. Chem. React. En... @bcrec_j

1K Followers 8K Following Bull. Chem. React. Eng. Catal. is a journal on the science of catalysis, reaction kinetics, chemical reaction engineering (JIF=1.3; SJR=0.313; CiteScore=3.2)

Arnau Garcia @arnau_garcia5

67 Followers 115 Following PhD student in Theoretical and Computational Chemistry at @QuimicaUB and @IQTCUB

Žarko Ivković @ivkovic_zarko

24 Followers 77 Following Erasmus Mundus student at the University of Barcelona Theoretical Chemistry and Computational Modelling

Robert Paton | Fixman Ladanyi Professor @csu_chemistry | #compchem | https://t.co/7IGAPM3ISy | @nsf_ccas | @bobbypaton.bsky.social

Robert Paton @bobbypaton

Nature Chemistry @NatureChemistry

272K Followers 1K Following A chemistry journal from @NaturePortfolio & @SpringerNature.

Miranda Quintana Grou... @GroupQuintana

4K Followers 2K Following RamO(N) Miranda-Quintana group @UF Theoretical and Computational chemistry.

Schoenebeck Group @Schoenebeck_Lab

5K Followers 441 Following

Sarpong Group @SarpongGroup

9K Followers 436 Following Student-run twitter account for the Sarpong group at UC-Berkeley.

Nuno A. G. Bandeira @nuno_bandeira

214 Followers 245 Following Researcher in Computational Inorganic Chemistry @ University of Lisbon

martaestrader_LM2N-UB @martaestrader

203 Followers 215 Following Associate Professor at the Faculty of Chemistry-UB. Magnetic-based Nanomaterials | Inorganic Chemistry

Electrical molecular detection & Plasmonic molecular trapping,
Material Science & Physical Chemistry Department.
@UniBarcelona & @IQTCUB

ACAragonès @ACAragonesPhD

76 Followers 109 Following Electrical molecular detection & Plasmonic molecular trapping, Material Science & Physical Chemistry Department. @UniBarcelona & @IQTCUB

David Casanova @dcasanova_dipc

257 Followers 131 Following Researcher at the DIPC

Ramon Bosque @rbosquep

10 Followers 40 Following

Jesus Jover @yisuscience

217 Followers 379 Following Associate Professor in Inorganic Chemistry UB & IQTCUB

A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)

ChemEurJ: Chemistry -... @ChemEurJ

60K Followers 968 Following A Multidisciplinary Chemistry Journal - The heart of the Chemistry Europe @ChemEurope portfolio (https://t.co/42j8T8Mpwl)

Organic Chemistry Research Group at the University of Michigan, starting at the University of British Columbia in Vancouver in the Summer of 2024

SchindlerLab @SchindlerLab

12K Followers 460 Following Organic Chemistry Research Group at the University of Michigan, starting at the University of British Columbia in Vancouver in the Summer of 2024

Research Professor & PI at the Hylleraas Centre for Quantum Molecular Sciences |
Doing ML for Chemistry and Materials Science | WATOC OSLO 2025 organizer

David Balcells @BalcellsD

690 Followers 600 Following Research Professor & PI at the Hylleraas Centre for Quantum Molecular Sciences | Doing ML for Chemistry and Materials Science | WATOC OSLO 2025 organizer

Frank Gómez @FGomezMudarra

183 Followers 283 Following Ph.D. candidate at @QuimicaUB @IQTCUB | Sport Manager in my free time and @CNSantaPerpetua swimmer

Angel Morales-Garcia @AngelMorales83

443 Followers 1K Following Lecturer in Physical Chemistry at Universitat de Barcelona and at IQTCUB

Agencia Estatal de Investigación de España. Fomentamos la investigación científica y técnica mediante la asignación de los recursos públicos.

Agencia Estatal de In... @AgEInves

63K Followers 1K Following Agencia Estatal de Investigación de España. Fomentamos la investigación científica y técnica mediante la asignación de los recursos públicos.

CiQUS official account. Twitter oficial do Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (USC)

CiQUS @ciqususc

3K Followers 650 Following CiQUS official account. Twitter oficial do Centro Singular de Investigación en Química Biolóxica e Materiais Moleculares (USC)

electronicstructure @eegroupub

65 Followers 89 Following Electronic Structure group from @UniBarcelona and @IQTCUB

Jorge Echeverría @EcheverriaChem

411 Followers 436 Following Associate Professor. PI at @unizar @ISQCH. Applied theoretical chemistry. NCIs.

Carles Bo @Carles_Bo

699 Followers 472 Following

Official Mascot of the @carles_bo group at @ICIQChem.
I love Hartree-Fock too. Tweeting about our #compchem projects, @ioChem_BD, and more …

Hartree-Foca @HartreeFoca

380 Followers 164 Following Official Mascot of the @carles_bo group at @ICIQChem. I love Hartree-Fock too. Tweeting about our #compchem projects, @ioChem_BD, and more …

Rubén Laplaza @ruben_laplaza

1K Followers 2K Following machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things

Institut de Nanociència i Nanotecnologia, Universitat de Barcelona, is a Research Institute in #nanoscience and #nanotechnology at @UniBarcelona

IN2UB @In2Ub

748 Followers 294 Following Institut de Nanociència i Nanotecnologia, Universitat de Barcelona, is a Research Institute in #nanoscience and #nanotechnology at @UniBarcelona

RG at Suranaree University of Technology. @CrystEngComm and @ChemistrySelect. @SUT_2020. FRSC. All views my own. https://t.co/ZTqTzzJYtt

David Harding @GroupHarding

2K Followers 1K Following RG at Suranaree University of Technology. @CrystEngComm and @ChemistrySelect. @SUT_2020. FRSC. All views my own. https://t.co/ZTqTzzJYtt

Full Professor of Inorganic Chemistry
Director, DTU Electron Crystallography Facility
Technical University of Denmark

Kasper S. Pedersen @kasperspedersen

1K Followers 751 Following Full Professor of Inorganic Chemistry Director, DTU Electron Crystallography Facility Technical University of Denmark

Jose S Costa @josescostalab

2K Followers 2K Following Proud of being a coordination chemist, head of the Switchable NanoMatLab (los suichis) at @IMDEA_Nano. Murciano.

Prof Colette Boskovic @ColetteBoskovic

3K Followers 1K Following Inorganic Chemist, FRACI @ChemistryUoM @UniMelb @SciMelb 👩‍🔬 🧪 🧲 #MolecularMagnets #ValenceTautomerism #felements #SQUIDForUnimelb 🦑🧲 #OzChem #SciMum

Muralee Murugesu @m_murugesu

2K Followers 496 Following Molecular materials chemist

Dawid Pinkowicz @OrgMetallics

2K Followers 1K Following photomagnetic | odd | chiral | redox-active | molecules and molecular solids recently chasing chills of chemical bonding

ECSañudo @ecsanudo.b... @ecsanudo

743 Followers 728 Following Molecular Nanoscience at Universitat de Barcelona #WomeninScience Personal opinions. For official tweets follow: @UniBarcelona @QuimicaUB @IN2UB

This is the student-run Twitter account of the Duarte group in Oxford, tweeting all things computational. Check out our chemistry resources below!

Duarte Group @duarte_group

2K Followers 572 Following This is the student-run Twitter account of the Duarte group in Oxford, tweeting all things computational. Check out our chemistry resources below!

X4HPC @X4HPC

605 Followers 2K Following X4HPC (Xarxa R+D+I per la Supercomputació a Catalunya)

Computational Chemistry *** Homogeneous/Heterogeneous Catalysis *** Metal–Organic Frameworks #CompChem @UA_Universidad

Manuel A. Ortuño @ChemOrtuno

2K Followers 526 Following Computational Chemistry *** Homogeneous/Heterogeneous Catalysis *** Metal–Organic Frameworks #CompChem @UA_Universidad

This is the twitter account of the Perez-Temprano group at ICIQ (Tarragona). Follow us to keep you posted on our research! #WeLoveMechanisms

Perez-Temprano Group @Perez_Temprano

2K Followers 483 Following This is the twitter account of the Perez-Temprano group at ICIQ (Tarragona). Follow us to keep you posted on our research! #WeLoveMechanisms

Chemistry Prof. @bengurionu 🇮🇱🇦🇷
Quantum, Catalysis, Tunneling and the Chemical Bond.
Plus some other stuff loosely connected with science and the academy.

Sebastian Kozuch Comp... @KozuchSebastian

2K Followers 749 Following Chemistry Prof. @bengurionu 🇮🇱🇦🇷 Quantum, Catalysis, Tunneling and the Chemical Bond. Plus some other stuff loosely connected with science and the academy.

Ramón y Cajal Fellow, #ERCStG grantee,PI @Casadevall_Lab @quimicaURV @ICIQChem- Polymeric microreactors for solar Fuels & Chemicals, Photocatalysis, Mechanisms

Carla Casadevall @CasadevallCarla

3K Followers 2K Following Ramón y Cajal Fellow, #ERCStG grantee,PI @Casadevall_Lab @quimicaURV @ICIQChem- Polymeric microreactors for solar Fuels & Chemicals, Photocatalysis, Mechanisms

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