Very happy to share that I have been awarded a @MSCActions Postdoctoral Fellowship. The #EU has funded our project, which aims to develop a high-throughput strategy to discover novel catalysts for the hydrogen economy by combining #compchem and #ML
1/4...IMDEA Materials scores unprecedented success in MSCA #Fellowship call! We are pleased to announce that we have been awarded six @MSCActions #Postdoctoral Fellowships.
You can read more, here: https://t.co/HHCpwDx0jl
@MSCANetwork@EU_Commission
Our symposium on #ML for #materials at #IMRC2025 went great - big thanks to my fellow co-organisers @HESauceda and @theochemmerida, and 👏🏻 to the amazing speakers Claudia Draxl, Alex Tkatchenko, Qian Yang, @_ValentinVG, and others. Proud to reach gender parity in talks!
This week, I attended the @ICCLyon2024 conference in Lyon, the biggest event gathering researchers and industries working on catalysis. There, I presented the work we have been doing within the @MSCActions #HighHydrogenML project. @ImdeaMaterials
Glad to share our work, where we apply #ML to predict the adsorption energy of H, O, and OH on bimetallic materials considering the effects of elastic strains. Screening of new potential catalysts is possible. @MSCActions #HighHydrogenML@ImdeaMaterials https://t.co/2j3OErokcQ
This week, I presented our work on #ML and #CompChem for discovering new catalysts for the hydrogen economy at @espa2024 in the beautiful city of Tarragona. There were many interesting talks and poster presentations, as well as fruitful discussions. @ImdeaMaterials @MSCActions
Using the participation of the d orbitals in heavy Group 2 elements, it is possible to stabilize planar pentadecacoordinate atoms. This is the story we detailed in our recent article published in @J_A_C_S
A collaboration between groups in 🇨🇳 🇨🇱 🇺🇸 🇲🇽
https://t.co/KNEmeuVJwu
I am delighted to share our latest work in collaboration with @TCPUniLu! Join us as we explore the world of Explainable Chemical Artificial Intelligence (XCAI) using real-space chemistry! https://t.co/dY96YkfYbg
Check out our new paper https://t.co/cLzxIfl7qz on Explainable Chemical Artificial Intelligence using real-space descriptors now published in Nat. Commun. Great collaboration with @TCPUniLu and colophon of Miguel Gallegos' PhD Thesis. #compchem@uniovi_info@Fac_Quim_Uniovi
Happy to share my first work at @ImdeaMaterials. We unveil through #ML that many-body microstructural features in Mg alloys have a crucial role on the nucleation of extension twins in grains unfavorably oriented for twinning. @Nature_NPJ Read more: https://t.co/WAIIZz1cJH
⏳ There is just one month left to apply for the #BIOMEND - Doctorate Network!
We are excited to be collaborating in this initiative, with applications open for 15 #PhD candidates in BIOabsorbable Metallic ENdovascular Medical Devices.
Full details ➡️https://t.co/wQGpB68aaO
📽️ El periodista Iñaki Rodríguez de @La1_tve habla con el cofundador de @Floatech, el Dr. Juan José Vilatela, y la ingeniera de procesos María Murillo Vidal, sobre los planes de la start up de abrir una planta piloto en Madrid en los próximos tres meses 👏
@ComunidadMadrid
BREAKING NEWS
The Royal Swedish Academy of Sciences has decided to award the 2023 #NobelPrize in Physics to Pierre Agostini, Ferenc Krausz and Anne L’Huillier “for experimental methods that generate attosecond pulses of light for the study of electron dynamics in matter.”
Not just one, but TWO of our recent reviews are now featured in the @ACSChemRev's top 20 most-read articles over the past year, with 50k and 60k views respectively 📚🔥
Check them out here:
https://t.co/grHu4fAc5V
https://t.co/B4LzJ45ChV
From “Freedom of Design” to the actual inverse design of molecules with targeted quantum-mechanical properties!😃
https://t.co/VDZMeyYdRm
👉Have a look at our recent preprint where we parametrize QM7-X chemical space with a set of QM properties.
@SuperFalla@TCPUniLu@AiddOne
It was good fun to write that review with @hbdft2008 and @ProfvLilienfeld!
➡️ML is data-limited, and DFT likely is the way out
➡️Data is too scarce, e.g. for excited states, non-equilibrium geometries, charged systems and more elements
There's Plenty of Room at the Bottom😉
Lightning-fast QTAIM charges and more with NNAIMGUI. #compchem Take a look at https://t.co/qZHNAcYCqG
Code at https://t.co/kWvaM0zPBi
@jcim_jctc@uniovi_info
👏 IMDEA Materials Institute is greatly looking forward to the debut of the HERA project at next week's @parisairshow!
✈️ HERA is developing the next hybrid electric regional passenger aircraft with the aim of reducing emissions by up to 90%.
+info: https://t.co/Wip6hNAVgr
Don't miss the opportunity to read our work, where we implement many-body expansions into GDML for constructing a size-transferable #MachineLearning force field. #CompChem
Tkatchenko, Keith, et. al., present a gradient-domain ML force field trained on many-body interactions, to create a size-transferable force field: mbGDML. Get the full picture in today's featured #openaccess advance article: https://t.co/EIygcA4D61
🎦 For those that missed it in person, you can now view our "Being a Marie Skłodowska-Curie Actions Postdoctoral Fellow at IMDEA Materials Institute" webinar on our YouTube page following the link ⬇️
https://t.co/22DPqJYNgk
@_ValentinVG, @crisgomez55, @germaninf, @FECYT_Ciencia