Aleix Comas
@aleixcv
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Joined April 2010
We are looking for two PhD positions at TU Wien in Computational Catalysis to work on 1) understanding the dynamics of heterogeneous catalysts 2) and using artificial intelligence to design new co2 hydrogenation catalysts. More information here:
linkedin.com
We are hiring; we offer two PhD positions at the Faculty of Technical Chemistry, TU Wien, in Computational Heterogeneous Catalysis at the Vienna University of Technology. Interested? Send your...
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Explainable GNN Framework Guided by Local Chemical Features to Predict Binding Energies in Bimetallic Alloys #machinelearning #compchem
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Wonderful and insightful collaboration with the Comas Vives group on NiGa-based methanol synthesis catalysts
Great collaborative paper with @GroupLese: How Does the Ni–Ga Alloy Structure Tune Methanol Productivity and Selectivity? | ACS Catalysis
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Great collaborative paper with @GroupLese: How Does the Ni–Ga Alloy Structure Tune Methanol Productivity and Selectivity? | ACS Catalysis
pubs.acs.org
In this work, we assess how the structure of SiO2-supported, Ni–Ga alloys determines their activity and selectivity for the hydrogenation of CO2 to methanol. Using a hydrothermal deposition-precipi...
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Key Descriptors of Single-Atom Catalysts Supported on MXenes (Mo2C, Ti2C) Determining CO2 Activation #machinelearning #compchem
pubs.acs.org
CO2 activation is crucial to its upgrade to fuels and chemicals. In this work, we systematically studied CO2 cleavage on single-atom catalysts (SACs) based on metals M = (Fe, Ru, Co, Rh, Ni, Pd, Pt,...
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Great kick-off meeting for our new FFG project! @NoeliaBarrabes and Daniela Klampf will work together with @aleixcv and @IonsDotScience to understand the effect of ion beams on fostering catalytic activity, combining ion beams, synthesis and theory. Strong team for the next year!
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L’ex-conseller d'Economia, Jaume Giró, va sol·licitar, en un escrit enviat a la Comissió Nacional del Mercat de Valors (CNMV), l'aplicació del decret que va elaborar el Govern de Rajoy per facilitar la fugida d'empreses de Catalunya. Ho va demanar desde la Fundació La Caixa.
🔴 Jaume Giró dispara contra Laporta: «El balanç final de les direccions messiàniques sempre és catastròfic» https://t.co/qobBTf3J1K
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Excited to announce our work titled MXene Termination and Stacking Bias on the Reverse Water Gas Shift Reaction Catalysis, to be featured in the special issue of Mat Today Catal. on MXenes as emerging well-defined heterogeneous catalysts. Check it out: https://t.co/WM8RQ5eURV
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Enhanced Catalytic Performance of a Single-Atom Cu on Mo2C toward the CO2/CO Hydrogenation to Methanol: A First-Principles Study - now published in Catalysis Science & Technology
pubs.rsc.org
CO2 emissions harm the environment due to their pivotal role in fostering climate change and ocean acidification. One way to take advantage of CO2 is to use it as a precursor to chemical materials to...
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Us vam avisar anys enrere, quan el decorat va caure, que arrasarien amb tot mentre apel·làveu al vot útil contra tota alternativa (2019). No és una nova 'traïció dels líders', sinó dels votants. No hi ha punt mitjà. Foc nou i reconstrucció al marge dels partits d'ara o abstenció.
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Al 2016 el PSOE va investir a Rajoy. Al 2024 ERC investirà a Illa després de mentir en campanya. Tot el que han fet els partits del SÍ des de 2012 ha sigut per càlcul electoral, mai per convicció. No deixeu que facin servir la vostra ràbia per manipular-vos i aposteu pel foc nou.
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We are looking for two PhD positions at TU Wien in Computational Catalysis to work on 1) understanding the dynamics of heterogeneous catalysts 2) and using artificial intelligence to design new co2 hydrogenation catalysts. More information here:
linkedin.com
We are hiring; we offer two PhD positions at the Faculty of Technical Chemistry, TU Wien, in Computational Heterogeneous Catalysis at the Vienna University of Technology. Interested? Send your...
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Day 4 at @ICCLyon2024 ready to chair w Ainara from @hylleraas a session on unifying concepts to tackle dynamics in computational catalysis. Organized w @aleixcv @chemistry_tuw @tu_wien #compchem #MachineLearning
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Day 1 of #ICCLyon a week of catalysis w @aleixcv @Stephen_Sci and many more from @chemistry_tuw @tu_wien
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Our last paper in @ChemicalScience! Metadynamics simulations reveal alloying-dealloying processes for bimetallic PdGa nanoparticles under CO2 hydrogenation - now published in Chemical Science
pubs.rsc.org
Supported bimetallic nanoparticles (NPs) often display improved catalytic performances (activity and/or selectivity). Yet, structure–activity relationships are difficult to derive due to the multit...
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Our recent work! The Impact of Oxygen Surface Coverage and Carbidic Carbon on the Activity and Selectivity of Two-Dimensional Molybdenum Carbide (2D-Mo2C) in Fischer–Tropsch Synthesis | ACS Catalysis @ACSCatalysis
pubs.acs.org
Transformations of oxygenates (CO2, CO, H2O, etc.) via Mo2C-based catalysts are facilitated by the high oxophilicity of the material; however, this can lead to the formation of oxycarbides and...
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Check out my TEDx Talk! Focused on converting CO2 to fuels using computers, chemistry, and AI: "Modelling Everything and Fuels From Air"| Aleix Comas Vives | TEDxTUWien https://t.co/iNRKMtPNmW via @YouTube @TEDTalks @UABBarcelona @TEDxTUWien
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