🎉 Our new paper is online @PCCP
A semi-automated workflow is used to decode the structure of crystalline AsTe₃! Multiple high-quality models reveal intergrowths of pure-Te & mixed As-Te regions, bridging elemental Te and α-As₂Te₃ phases. https://t.co/rao5Qwt9j7 @ceramiclab
Happy to share our @JAmCeramSoc work on AI-ML modeling of amorphous structures, led by @firasshuaib
We:1️⃣ Cluster structures using local&long-range descriptors 2️⃣ Fit MLIPs via active learning.
=> Minimal-size databases achieve MLIP with DFT accuracy!
https://t.co/i2Y3mybpOU
🎉 Big shoutout to our PhD st @DaveWansi for leading our latest study on the quantitative modeling of VPO glass, in JNCS @ElsevierPhysics! Thanks to our partner @ceramiclab, @AgenceRecherche for funding & @Genci_fr+Meso @unistra for HPC resources! https://t.co/reLvboDhlF
Delighted to share the acceptance of our latest research! 📚 Unveiling the structure and ion dynamics of amorphous antiperovskite electrolytes through FPMD has been accepted in @JMaterChem A. https://t.co/2Cs4kX58xe
✅Just landed! The roadmap on molecular modelling of electrochemical energy materials from Guest Editors Chao Zhang (@chem_angstrom) and Board Member Jun Cheng (https://t.co/TMGz7kTmiH) + 30 authors from 11 countries is available, Open Access 🔓 at https://t.co/eDdKSwTAAQ
Very happy to see our work on revisiting the electrified Pt(111)/Water interface published in J. Phys. Chem. C. Thanks to @INC_CNRS for supporting our collaboration with @Griffith_Uni within the International Emerging Actions framework https://t.co/KvnuiO7vYE
Heading to Corning NY to attend the 4th Int. Workshop on Challenges of Molecular Dynamics Simulations of Glass and Amorphous Materials. Very happy to meet colleagues and friends and discuss our work on modeling oxide materials with first-principles and machine learning techniques
A #phd position in #materials science funded by @AgenceRecherche is available at @ceramiclab (starting in October 2023). Applications until end of may / Interviews in June. For the PhD offer, see details (French & English) here:
https://t.co/1sahI1AtR4
Please RT🙏
Very happy to see our work on computing Raman spectra of amorphous oxide models featured in the cover page of PSS Rapid Research Letters.
Cover page: https://t.co/mZ4FhBn1WI
Related paper: https://t.co/9DYiPETHG7
Research @ceramiclab#raman#DFT
📢📢📢 I am looking for a postdoc to work on modeling 2D heterostructures for solar cells and tunnel field-effect transistors @ChalmersPhysics @chalmersuniv 📢📢📢 retweets will be highly appreciated 🙂
https://t.co/27Aqc1spOK
🗓️ 29/03, 10h00-11h30, notre cycle bimestriel de #webmatinales débute avec Olivier Masson, Prof. @unilim et chercheur @ceramiclab sur l’analyse #structurale par la méthode de la fonction de distribution de paires atomiques. Inscription à [email protected] pour le lien zoom!
🙏
Interested in computing Raman spectra on amorphous oxides? Periodic and large models? It seems that combing @CP2Kproject and finite difference is a powerful tool to do the job!
Check out our recent paper https://t.co/9DYiPETHG7
Codes are freely available
@ceramiclab @AdvSciNews
👉Join us Friday at 8:30 AM (UCT+1) for the MatV2L virtual #seminar series.
📍Register now for this exciting #event via 📤 [email protected] to receive the zoom link.
The program is below👇
#thankyou very much for your consideration. 🙏