NewMaterialsLab
@NewMaterialsLab
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Joined May 2018
🏆👩🔬We are very proud to share that our director @Marisol_CSIC, Research Professor at the @ImnCsic, has been awarded the 2025 National Research Prize in the Juan de la Cierva category for Knowledge Transfer, by @CienciaGob. https://t.co/fOhwvLyWrB
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Back in Auditorium 2 for the afternoon at #BQB2025: S7 – Advances in Functional Materials Explore emerging materials with cutting-edge applications in tech and sustainability @RSEQUIMICA @BEC_Bilbao
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We are thrilled that our work @QuimicaUs exploring the thermoelectric properties of BiN has been featured on the front cover of @JMaterChem A. #compchem #thermoelectrics @unisevilla
https://t.co/3cL6oUn22q
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Accurately predicting materials thermodynamic properties needs to go beyond QHA. Our new method, developed with collaborators in @Fac_Quim_Uniovi, efficiently incorporates anharmonicity at a reasonable computational cost. #compchem
nature.com
npj Computational Materials - Thermodynamics of solids including anharmonicity through quasiparticle theory
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Finding new #thermoelectrics for low-mid temps is challenging! We have optimized BiN TE performance via polymorphism, pressure & nanostructuring. Collaboration w/ @DESY's Dr. Glazyrin, published in @JMaterChem! #compchem
pubs.rsc.org
Materials discovery extends beyond the synthesis of new compounds. Detailed characterization is essential to understand the potential applications of novel materials. However, experimental characte...
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It's been incredibly rewarding to collaborate with the @NewMaterialsLab at @unisevilla. In this @ChemMater work, we explored thermoelectric Cu-based sulvanites by combining computational studies and experiments. I hope this is just the first of many more collaborations to come!
Check our last colaboración with @unisevilla Challenges Reconciling Theory and Experiments in the Prediction of Lattice Thermal Conductivity: The Case of Cu-Based Sulvanites | Chemistry of Materials
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Comparing experimental & theoretical predictions of lattice thermal conductivity can be challenging. Here, we use Cu sulvanites to highlight the importance of a multidisciplinary approach, in collab w/ @Prado_Gonjal & others #thermoelectrics #compchem
pubs.acs.org
The exploration of large chemical spaces in search of new thermoelectric materials requires the integration of experiments, theory, simulations, and data science. The development of high-throughput...
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This ACS Applied Electronic Materials Special Issue brings together an interdisciplinary community of researchers working on thermoelectric materials & devices to provide an overview of the challenges & future directions in this field. #ACSAELM Read Now 👉 https://t.co/JCQa0OWIVA
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Back from #ICT2024, which was a wonderful conference filled with inspiring talks and set in the beautiful #Krakow. #Thermoelectrics community welcomed us warmly, making us feel part of the group. Thanks to local organizers and @ETS for providing us with this amazing experience.
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🎉 Excited to announce that my designs were selected for the cover of the 'Advanced Thermoelectric Materials and Devices' special issue of @ACS_AMI! Check out the cover art here: https://t.co/Dnl8mwvVcr
#CoverArt #ScienceArt 🎨 #Thermoelectrics ⚡️
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Thank you to all the authors who have contributed to the Special Issue on Advanced #Thermoelectric Materials and Devices @ACS_AMI. https://t.co/xRbd1H2CPi
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Excited to share our new paper in @ACS_AMI from @NewMaterialsLab! We used ML 🤖 & high-throughput techniques to discover diamond-like chalcogenide thermoelectric materials with ZT values >2. Check it out: https://t.co/4cAJdf4792
#MaterialsScience #Thermoelectrics
pubs.acs.org
Rational design principles are one pathway to discovering new materials. However, technological breakthroughs rarely occur in this way because these design principles are usually based on incremental...
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Exciting news! 📚Our latest paper is out! 🎉 An accurate screening of large chemical spaces by combining DFT #compchem simulations 🧪and #ML 🤖 for #thermoelectric optimization. Check out @ACS_AMI:
pubs.acs.org
Thermal and electronic transport properties are the keys to many technological applications of materials. Thermoelectric, TE, materials can be considered a singular case in which not only one but...
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Great to see our latest #compchem collab w/ Jose Plata, @victor_posligua and others @NewMaterialsLab, published today: thermal conductivity of pnictide chalcopyrites for #thermoelectric applications
pubs.acs.org
Ternary pnictide semiconductors with II–IV–V2 stoichiometry hold potential as cost-effective thermoelectric materials with suitable electronic transport properties, but their lattice thermal conduc...
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Don't miss our latest #CompChem research on the promise of pnictide chalcopyrites as cost-effective thermoelectric materials⚡️, now accepted in #ACSAELM @AmerChemSociety. Led by @NewMaterialsLab, with @rgraucrespo and more. #Thermoelectrics
https://t.co/mtYvUpVJhY
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🤖🧪PhD position in Foundation Models for Materials Chemistry, starting in the group next September. Want to use ML on some of the gnarliest, most important problems for designing new green energy materials? DM or email me. More info:
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The new version (0.51) of our SOD (Site Occupancy Disorder) code can do some cool statistics in grand-canonical configurational ensembles, including effective spectra of solid solutions: https://t.co/ie7W3ewZwZ with @saidhamadgomez #compchem
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Check out our new preprint about the thermal conductivities of II-IV-V2 pnictides, with @victor_posligua, Jose Plata (@NewMaterialsLab), and others: https://t.co/1CWRdOiFBj
#compchem
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Day 2 of #CMD30 #FisMat2023 in Milan! I’ll be talking about our work with @NewMaterialsLab and @rgraucrespo on thermal transport in chalcopyrites on Thursday.
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Here is our latest work, just accepted in J. Mat. Chem. A @JMatrChem. Harnessing the Unusually Strong Improvement of Thermoelectric Performance of AgInTe2 with Nanostructuring - now published in Journal of Materials Chemistry A
pubs.rsc.org
Nanostructuring is a well-established approach to improve the thermoelectric behavior of materials. However, its effectiveness is restricted if excessively small particle sizes are necessary to...
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