Tomás Rojas
@tomas0821
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Professor at University of Costa Rica, Collaborator @argonne National Lab. Computational material science, electrochemistry, energy storage, nanomaterials.
Joined November 2010
I am excited to present our aluminum-based battery research, a work in progress, at #LatinXChem24! We’re optimizing carbon nanoscrolls for AlCl₄ migration. Posting on behalf of @Leandro_RuizH , the student involved in this project! #LatinXChemComp #Comp068 @LatinXChem
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@tef_gs @Leandro_RuizH @LatinXChem @cicima_ucr Thank you Estefania. It's one graphene sheet (about three unit cell wide) rolled around to form a scroll using Archimedes spiral eqn. You are correct about Fig 4, it is related to the scroll's deformation to adsorb the molecule. Working on connecting the positions using NEB.
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RT @LatinXChem: Save the date! Join us for #LatinXChem24 X conference on October 14th and 15th, 2024. Spread the word to participate in one…
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RT @flokno_phys: I am happy to announce that the Temperature Dependent Effective Potentials (TDEP) code is officially released and publishe…
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RT @matmirulimarrj: Very happy to announce our software VIAMD for Visual Interactive Analysis of #moleculardynamics in @JCIM_JCTC. https://…
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RT @YuanyueL: If you also want to do DFT calculations under constant electrode potential, our code is available for free:
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RT @cicima_ucr: 27/11/23 es la fecha límite para enviar los resúmenes de participaciones orales/en afiche. #sciman23
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Great opportunity!
Postdoctoral position in Computational Materials Chemistry in my group. Please RT.
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RT @jppiquem: 🚨Just published in @ChemicalScience🚨: "Force-Field-Enhanced Neural Network Interactions: from Local Equivariant Embedding to…
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Now a group from @CSIR_NPL challenges the claim of superconductivity in LK-99. They found no evidence of superconductivity in their sample and included first principle calculations. Read more here: [ #physics #superconductivity #LK99
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Room-temperature superconductivity in LK-99 explained by ultra-flat bands from Cu-O1 hybridization, according to a new paper on arXiv. #physics #superconductivity #LK99
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Exciting news! Our paper, 'Characterization of just one atom using synchrotron X-rays,' was selected as @nature's June 2023 cover. Congrats to my co-authors for their groundbreaking work! Check it out:
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