García-Melchor Lab
@CCEM_Group
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Computational Catalysis and Energy Materials (CCEM) Group led by @MGarcia_Melchor. Account run mostly by group members.
Dublin City, Ireland
Joined March 2017
Upgrading Sodium-Mediated Deprotonative Borylation to Catalytic Regimes: Regioselective Control and Mechanistic Implications | Journal of the American Chemical Society @EvaHeviaGroup
@DCBPUnibern @energigune_brtaand @TCD_Chemistry @CCEM_Group
pubs.acs.org
Organoboron compounds are essential to pharmaceutical synthesis, yet current catalytic C–H borylation methods remain largely limited to transition-metal and borenium catalysts. Deprotonative boryla...
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A cheeky pic of our half of the CCEM group now here at @energigune_brta! Who finds our new postdoc Pablo?
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A huge welcome to Pablo Castro Latorre, our new postdoc here at CIC! 🎉🥳 His work will focus on the exciting #ICONIC_EU project as well as other projects in thermal catalysis. 💻🔬 We’re delighted to have you in the group, Pablo!! 🤗👏 @MGarcia_Melchor @energigune_brta #compchem
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🚨 We’re hiring at @energigune_brta! 🚨 Join our team as a #postdoc in materials discovery for energy storage & conversion. Apply here 👉 https://t.co/BWumXz5doo
#PostdocPosition #EnergyStorage #EnergyConversion @TCD_Chemistry
cicenergigune.com
Postdoctoral Researcher in Atomistic Modelling for Energy Storage and Conversion Materials in CIC energiGUNE
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🚨PhD opportunity alert!🚨 Want to combine AI 🤖 + DFT + high-throughput screening to design next-gen catalysts for sustainable urea production? Join the Proeza team with @energigune_brta & Prof. Federico Calle-Vallejo @upvehu, funded by @AgEInves. 👉
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We have a new Dr in the group!🎓✨ Huge congrats to Dr @MantingMu on her PhD defense — we couldn’t be prouder! 🎉🥳 Big thanks to @ColavitaGroup (Chair), @TobiKraemer (Internal Examiner), & @CamposGroup (External Examiner) for your time, support, and dedication. 🙌 @TCD_Chemistry
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Kudos to the @AmerChemSociety for launching the $2.5M Graduate Student Success Grant, which will support up to 100 Master's or PhD chemistry students whose research was disrupted by adviser grant cancellations! Apply Sept 15–Oct 1. More info: https://t.co/DfNqwLegmG
#ACSFall2025
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Had an amazing time at the #LINO25 @lindaunobel meeting Nobel Laureates and brilliant young researchers from around the world!🌟Huge thanks to @Researchirel for the opportunity. Proud to represent @TCD_Chemistry and @CCEM_Group and thank you to my supervisor @MGarcia_Melchor
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An excellent opportunity to work on a very exciting project and in an excellent group!! @Chemjobber #postdoc
Postdoctoral postion available with me on Computational Materials Design for Hydrogen Storage as part of the PeCATHS project ( https://t.co/w8ExocGvTB). Further information at
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Conor Brennan: Computational insights into electrochemical biomass valorization for green hydrogen production (S05 – P6, Wed-Thurs)
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Alejandro Cañete Arché: From surface configurations to binding: Optimizing the local environment for CO adsorption on CuAl alloys (S05 – P9, Wed-Thurs)
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Ana McGinley: Mechanistic insights into the catalytic borylation of heterocycles using sodium amides (S02 – P27, Wed-Thurs)
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Posters: @MGarcia_Melchor / Didac Fenoll: Computational high-throughput screening of liquid organic hydrogen carriers (S08 – P20, Mon-Tues).
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@TimoSommer_: A new dataset to discover stable and efficient molecular oxygen evolution catalysts (S05 – OC9, Wed 18:30, Sala 1A)
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Cian Clarke: DART: Unlocking coordination chemistry beyond the Cambridge Structural Database (S02 – FC19, Thurs. 16:35, Auditorio 1)
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🎤Oral presentations: Didac Fenoll: High-throughput screening of liquid organic hydrogen carriers (LOHCs) for sustainable hydrogen storage (S08 – OC3, Tues. 13:30, Auditorio 2)
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🚀 Excited to be at #BQB2025 @BEC_Bilbao this week! Our group is showcasing new work on catalysis, molecular design & hydrogen storage. Come say hi! 👋 👇Check out our contributions across talks and posters:
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🚨PhD Opportunity in Computational Catalysis! Join our team at @CICenergiGUNE to advance atomistic modelling & AI for sustainable nitrogen conversion 🌱 See details below. #PhDposition #ComputationalChemistry #Catalysis #DFT #ML4Science @Chemjobber @TCD_Chemistry @TCD_Energy
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🔋 In #HIPERZAB, SINTEF has developed a 3D Zn electrode using Room Temperature – Cold Sintering Process (RT-CSP) — for the first time with battery-grade Zn powders! ✅ +16% porosity vs SoA ✅ Optimized composition & procedure 🔋 Towards mid-to-long term storage!
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🔧 In the #HIPERZAB project, CEGASA reports a key challenge: Standard lead-free solder alloys don't adhere well to sintered porous Zn electrodes — poor wetting, almost no adhesion, and issues for cell serialization. ✅ One successful alloy has now been identified — a step forward
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