Carles Bo
@Carles_Bo
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Today we published (embargoed) https://t.co/htSL1dXhbM
@ioChem_BD about Tc (Technetium) chemistry. Also, uma-ase v0.6.0 https://t.co/mIrO2rVsgO, a tool coded by #ChatGPT for using & benchmarking AI/ML UMA (from @AIatMeta) & #ase. Software making software for science ?🤯@ICIQchem
gitlab.com
GitLab.com
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ioChem-BD has landed in Naples 🇮🇹 for EuCompChem! Excited to connect, share ideas & talk computational chemistry 🔬✨ #EuCompChem #IOChemBD #ComputationalChemistry
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#ICIQNews 🖥️Researchers from ICIQ and the @uni_copenhagen integrate digital models and synchrotron-based experiments to better predict the formation of polyoxometalates under hydrothermal conditions Read more 🔗 https://t.co/zOcYX879fg
@Carles_Bo #POMSimulator
@J_A_C_S
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This week: WATOC Oslo 2025. The @ioChem_BD team already set up our booth. Drop by and say hellow ! Presents for our users. #watoc @EoscPortal @EOSC_eu #compchem #openscience @ICIQchem @_BIST @BSC_CNS
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Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering | Journal of the American Chemical Society @ICIQchem @UCPH_Research @koebenhavns_uni @universitatURV
pubs.acs.org
A systematic approach for understanding the pH-dependent speciation of molecular metal-oxide nanoclusters beyond ambient conditions, which combines computational predictions with X-ray total scatte...
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#ICIQPublications 👏Congrats Prof. @Carles_Bo's group for this collaboration with @koebenhavns_uni 🤝This work marks the potential of hybrid approaches (computational simulation with X-ray total scattering) for elucidating solution-based oxide formation under extreme conditions
Uncovering Polyoxometalate Speciation in Hydrothermal Systems by Combining Computational Simulation with X-ray Total Scattering | Journal of the American Chemical Society @ICIQchem @UCPH_Research @koebenhavns_uni @universitatURV
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🔴 What’s new in POMSimulator v2.0.0? 1⃣ Support for heteropolyoxometalates 2⃣ Large-scale statistical workflow 3⃣ New scaling methodologies 📦🐍 Open-source and usable out of the box (only git clone and pip install required) 🔗 https://t.co/hQVw9R2zFd
#compchem @ICIQchem
zenodo.org
Python implementation of POMSimulator for iso- (IPA) and hetero- (HPA) polyoxometalates. In this version, a new input/output configuration has been implemented for the correct and organised use of...
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#ICIQNews 🔺Prof. @Carles_Bo's group has made a major step forward in predicting how polyoxometalates (#POM) form. ☄️This innovation removes previous limitations and represents a key milestone in inorganic chemistry. Read more 🔗 https://t.co/SoDUQ63Xuu
@digital_rsc
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Prof. Manuel Alcamí @manuelalcami (@IMDEA_Nano & @UAM_Madrid) has chosen @ioChem_BD as the data storing solution for the SEPIA Database APP for the development and design of new, safer pesticides
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Hello from the Institut d'Estudis Catalans! Here we are presenting ioChem-BD and introducing our OSCARS project. Thanks to the @scq_iec Societat Catalana de Química for the invitation.
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A day full of emotions: Jordi got “cum laude”, well deserved. Happiness !!! On the other hand, it was @dgarayru’s last day in the lab. @HartreeFoca is a bit sad, but full of joy because your success. Best luck in your new enterprises to both. 💪💪
#ICIQPhD 🎓 Moltes felicitats, Dr. Buils from Prof. @Carles_Bo's group and co-supervised by Dr. Mireia Segado Centellas! 📚 Today Jordi has defended his thesis on enhancing the POMSimulator for computational prediction of polyoxometalates. Learn more 🔗 https://t.co/VNForuivIY
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#ICIQPhD 📚Thesis defense by Jordi Buils from Prof. @Carles_Bo @HartreeFoca Group ➡️"Enhancing POMSimulator Applications in Heteropolyoxometalates: a Statistical and Data-Driven Approach" 📅TODAY 🕚11.00 h 📍ICIQ Auditorium Info🔗 https://t.co/DROhLnbruj
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Habemus Thesis !! So nice work by #JordiBuils, thanks to @dgarayru and past @HartreeFoca members. POMSimulator is hitting again !! @ICIQchem @irn_ms @POMpubs 😀
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#ICIQJobs Prof. @Carles_Bo is hiring a Project Manager for the @ioChem_BD OSCARS project! 🔹 PhD in #compchem 🔹 Strong Python skills 🔹 Experience with data science Apply here🔗 https://t.co/YI5p7OPGDf
@iCERCA @_BIST @SOMM_alliance
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#ICIQCommunity ◾️La nostra comunitat vol expressar les més sinceres condolences als familiars de les víctimes i a totes les persones afectades pel recent temporal que ha colpejat especialment la zona de #València 👐Estem amb vosaltres en aquest moment tan difícil @iCERCA
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