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Thanks to AiiDA, we could demonstrate a sustained 99.96% utilization for over 20 hours of the full supercomputer Alps (@cscsch's new near-exascale supercomputer), computing tens of thousands of compounds! You can read more in the @nccr_marvel highlight below
How a team of #MARVEL scientists completed a computational marathon that showcased the power of Switzerland’s new #Alps supercomputer, and the efficiency of the #AiiDA computational materials science platform. Read more 👉 nccr-marvel.ch/highlights/Aii…
AiiDA is being presented at the @EuroSciPy this week! Both talks and a tutorial, focusing on the new WorkGraph syntax to make writing workflows much easier. If you are at the conference, come to check it out!
Materials Cloud has been selected as one of the three Open Science Projects featured by @EPFLOpenScience epfl.ch/research/open-…! You can check the video here: youtube.com/watch?v=jud_Fs…
Today we announce the launch of our new communication platform: aiida.discourse.group Join us with all your questions, discussions, and requests for support. Our developers and community are looking forward to be able to help out!
2 new post-doc/research software engineer positions open at @psich_en (Switzerland): join the @aiidateam to extend AiiDA's support for large data and next-generation HPC! Info on how to apply here: psi.ch/en/pa/job-oppo… Deadline: July 30, 2023 psi.ch
Check the Microsoft webinar today, where they introduce their platform Azure Quantum Elements - AiiDA is tightly integrated in it!
Join us tomorrow and learn more about today’s news and how we’re accelerating scientific discovery with Azure Quantum Elements. Dr. @nathanabaker along with @aiidateam and @Johnson_Matthey will share the details with @AmerChemSociety at 8:00 a.m. (PDT). connect.discoveracs.org/CENWebinar_Mic…
@nccr_marvel-led consortium (with PSI, Empa and ETHZ) won 3-year funding on “Open and reproducible materials-science research” to establish, promote and facilitate FAIR ORD practices, leveraging AiiDA for simulations and openBIS for experiments nccr-marvel.ch/news/communica…
We are already on the 4th day of the Flagship workshop "Open Databases Integration for Materials Design" here in CECAM-HQ! Today, participants (online and on-site) are discussing about OPTIMADE #implementation. They will meet again tomorrow morning before leaving #Lausanne
AiiDA appears in the "Tools of the Trade" of Nature Reviews Physics (nature.com/articles/s4225…) #MARVEL_NCCR @nccr_marvel #MaX_CoE @max_center2
The brand new AiiDA 2.0 has been released! Improved performance in the storage capabilities and the import/export functionality, among others! More information here: bit.ly/3MAcRo9 #MARVEL_NCCR @nccr_marvel #MaX_CoE @max_center2 @QuantumESPRESSO
Congrats to the #MaterialsCloud Archive team on the 500th submission!! The 1st 100 records took 20 months, the last 100 only 5, with new submissions coming in every day... nccr-marvel.ch/news/communica… @aiidateam @snsf_ch @OpenResearch_EU @GOFAIRofficial @max_center2 @BIGMAP_EU
Two open positions at @EPFL_en for postdocs/software engineers on coupling #MaterialsCloud Archive with simulations using #AiiDA and #AiiDAlab! Deadline: March 20th, 2022. Details and how to apply: theossrv1.epfl.ch/uploads/Main/O… @nccr_marvel @BIGMAP_EU
Learn how to compute many materials properties via Wannier functions at the Wannier 2022 Summer School, at ICTP (Trieste, Italy), 16-20 May 2022. Registration deadline: 15 Feb 2022. Will also explain how to automatically obtain Wannier functions via AiiDA! indico.ictp.it/event/9789/
Last week (6-10 Dec 2021) we had a coding week for AiiDA, in Leysin (bit.ly/3yAIiJu). Thanks to all the participants on-site and online. Looking forward to the next similar events in the future! @nccr_marvel @max_center2 #Hackathon #developers #coding
Friday night was our hero run on LUMI-C! AiiDA orchestrating 55704 Quantum ESPRESSO calculations to optimize the geometry of 15324 inorganic compounds - record utilization of 196608 AMD Epyc cores. #lumisupercomputer #lumieurohpc @nccr_marvel @max_center2 @QuantumESPRESSO
We're hiring a Materials Cloud Software Engineer/Web developer at EPFL! Position renewable yearly up to 4 years. Applications should be submitted by Oct 31st, 2021. All details at this link: theossrv1.epfl.ch/uploads/Main/O…
Check out our new paper on common AiiDA workflows for materials properties via 11 different quantum codes: identical input/output format and fully automatic parameter choice! npj Comput. Mater. 7, 136 (2021), doi.org/10.1038/s41524… @max_center2 @CH_universities @EPFLOpenScience
Common workflows for computing material properties using different codes can boost reproducibility, simplify interoperability and cross-verification, and open up their use to a wider range of researchers. More in @Nature_NPJ Comput. Mater.: bit.ly/3mgZSy6 @max_center2
Common workflows for computing material properties using different codes can boost reproducibility, simplify interoperability and cross-verification, and open up their use to a wider range of researchers. More in @Nature_NPJ Comput. Mater.: bit.ly/3mgZSy6 @max_center2
The paper reviewing the theory behind the Materials Cloud tool to predict the low-frequency infrared and Raman modes of 2D materials is now published on ACS Nano: doi.org/10.1021/acsnan… Tool: materialscloud.org/work/tools/lay… @nccr_marvel @max_center2 @CH_universities #OSSCAR
The registration for the AiiDA virtual tutorial has been extended until June 17th (23:59 CEST). Don't miss your chance! More information: aiida.net/aiida-virtual-… @max_center2 @BIGMAP_EU @nccr_marvel @intersect_eu @QuantumESPRESSO @CH_universities
Machine Learning: Sci... @MLSTjournal
9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Michele Ceriotti 🇪... @MicheleCeriotti
3K Followers 341 Following Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
MaX CoE @max_center2
2K Followers 869 Following Driving the exascale transition. A European e-infrastructure funded by the EuroHPC Joint Undertaking within Horizon Europe GA 101093374. #MaX_CoE
COSMO Lab 🇨🇭�... @lab_COSMO
4K Followers 455 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
Andrew S. Rosen @Andrew_S_Rosen
8K Followers 3K Following Assistant Professor at @Princeton. Quantum-chemical engineer.
NCCR-MARVEL @nccr_marvel
2K Followers 423 Following NCCR-MARVEL is the Swiss centre on Computational Design and Discovery of Novel Materials funded by the Swiss National Science Foundation @snf_ch. @EPFL_en
Bingqing Cheng @ChengBingqing
2K Followers 248 Following Computational materials scientist, avid cook | molecular simulations and molecular cuisine @chengbingqing.bsky.social
Psi-k @Psik_Network
4K Followers 2K Following Psi-k is a network, co-ordinated by a series of working groups, to help build cooperation in the field of electronic structure calculations
Volker Deringer @vl_deringer
3K Followers 2K Following Computational chemist, curious about the atomic-scale structure of materials & #MachineLearning for chemistry. Associate Professor @UniofOxford
Materials Intelligenc... @Materials_Intel
2K Followers 494 Following Boris Kozinsky's group at Harvard: Understanding dynamics of materials with computational physics + chemistry and machine learning.
Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Sandro Scandolo @SandroScandolo
1K Followers 1K Following dad x 3, husband x 1, boomer, runner, culinarian, STEMinist, purports to save the world teaching #physics, head of research https://t.co/3cLeRVKv96 #UNESCO #IAEA
Nong Artrith @NArtrith
1K Followers 612 Following Assistant Professor @UniUtrecht https://t.co/fkBuXr5jvq DFT/MachineLearning & Energy Materials Enthusiast https://t.co/kq11Etrd8Z Visiting Researcher @MSFTResearch
Olexandr Isayev 🇺�... @olexandr
10K Followers 4K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Stefano Sanvito @ssanvito
2K Followers 921 Following Professor of theoretical/computational Physics at Trinity College Dublin, Director @cranntcd, Member of @RIAdawson
Ion Errea @ionerrea
1K Followers 977 Following Associate Prof. @upvehu. Leader of the Quantum Theory of Materials group @CFMdonostia. Research associate @DIPCehu, @ERC_Research grantee, member of @jakiunde
Raghunathan Ramakrish... @raghurama123
2K Followers 1K Following Passionate about computational sciences and mathematical modeling
Johannes Lischner @jlischner597
979 Followers 787 Following Professor in Theory and Simulation of Materials, Department of Materials, Imperial College London
marcel ⊙ @marceldotsci
499 Followers 240 Following Trying to build better machine-learning surrogate models for DFT. Postdoc @lab_cosmo 👨🏻🚀.
Mohamad Moosavi @MoosaviSMohamad
2K Followers 2K Following Asst. Prof. of Chemical Engineering at the University of Toronto @ChemEng_UofT | #MachineLearning and #AI for the Chemical Sciences (he/him)
Clemspace @Clemspace
68 Followers 515 Following AI, OSINT, Economics. Something Everyday, Someday Everything.
Jacopo Pasqualini @jcppsqln
297 Followers 3K Following Solvitur ambulando / Studying proteins at Schwede group @biozentrum, Basel (CH) / physics PhD @LIPh_Lab, Padova (IT) / Apprentice Philosopher
Eererdou @Eererdou0454
95 Followers 3K Following
CRYSTAL @crystaldevsX
4 Followers 58 Following 💎 CRYSTAL software page on X. Lovely handcrafted in Turin and London since 1988.
Alex Rivera @AlexRiv14859499
10 Followers 620 Following
Weikeduo @YihanWu_Victor
0 Followers 80 Following
Tara K. Sabet @extaraordinary
59 Followers 395 Following PhD Candidate @CarnegieMellon | Computational Materials Science | DFT | AI/ML | Pianist
Andrea Fedrigucci @fedroandrea
1 Followers 28 Following
Murat Keçeli @hpc4science
150 Followers 974 Following
Luiz Felipe Pereira -... @luizfcpe
147 Followers 404 Following Materials physicist at UFPE (@ufpeoficial). Regular Associate at ICTP Trieste (@ictpnews).
Aria Mansouri Tehrani @MansouriTehrani
164 Followers 250 Following Postdoc at @MIT with @tesssmidt Previously at Materials Theory Group at @ETH_Materials with @NicolaSpaldin PhD with @BrgochChemistry
Gudrun Lotze @gudrun_lotze
587 Followers 2K Following [email protected]. X-ray physicist w/ love for in situ experiments with nano beams. Enjoys scattering, diffraction, programming. 🚴♀️🏊♀️⛷🌲🥾🧩
Omid.Hassasfar @OmidHassasfar
88 Followers 967 Following PhD Researcher @Stellenboschuni in Quantum Biology, Quantum Computing & Drug Discovery. https://t.co/Qb4oAlD9SI
Thiago Trevizam Dorin... @dorini_thi532
0 Followers 33 Following
Bhawna Sahni @bhawna0392
61 Followers 319 Following Postdoctoral research fellow @uniofwarwick , PhD @iitbombay (Computational modelling of energy materials)
Adrian F Lodeiro @aflodeiro
160 Followers 1K Following Chemist. Exploring nanoparticles and nanomaterials. @UniversidadeUSC 🇪🇦 and @FCTNOVA 🇵🇹 alumn. Now Postdoc @MSCActions - @Onisilosucy at @UCYOfficial 🇨🇾
TIm Renningholtz @timrenn_
41 Followers 226 Following PhD student in theoretical chemistry with @Trujillo_Group at @UoMChemistry. I travel the world and the seven seas. Previously with @TheorHetCatICIQ.
Shawn Yin @shawn_xyin
125 Followers 1K Following AI4science, autonomous scientific discovery, clean energy and sustainability
Steven @Steven19783778
0 Followers 71 Following Posting boring stuff about my learning experiences in the world of web dev and AI!
Mohammed A. Aly @MohammedAdelAly
115 Followers 835 Following PhD researcher @ Philipps Universität Marburg. 2D Quantum materials, Semiconductor Photonics
Andrew Burnett @DrBurnieTHz
407 Followers 749 Following THz Spectroscopy and Molecular Crystals Associate Professor @chemleedsuni
Cheng @ChengWang0925
1 Followers 46 Following
Sevim Polat Genlik @sevimgenlik
0 Followers 38 Following
Atas @atas_az
4 Followers 42 Following A trader, not very professional but experienced, who practices with a lot of orders.
Oumnia Racha Selmi @Oumnia_Racha
3 Followers 19 Following
Davide Sarpa @DavideSarpa
35 Followers 138 Following PhD student in theoretical/computational chemistry. University of Southampton.
Jessica Martinez @jessica941205
372 Followers 714 Following Graduate Student at Rutgers University, NJ, USA. B.S. in Chemistry from Francisco José de Caldas District University, Bogotá, Colombia.
PSVR MANEESH @ManeeshPsvr
128 Followers 1K Following PhD student in Computational Chemistry @TUChemboat @LabMatsika BS-MS @IiserTirupati
lavroffrob @lavroffrob
37 Followers 750 Following Theoretical chemistry PhD student at UCLA, Alexandrova and Usvyat (HU Berlin) groups
Mohammad Sh @MohammadSh___
34 Followers 143 Following
Thiago Trevizam Dorin... @dorinitt
0 Followers 57 Following
Vivekanand Shukla @vivekanandshkl9
12 Followers 78 Following Assist. Professor at IIT Ropar, Computational material physicist. Former postdoc: TU Dresden, Chalmers University of Technology, Former PhD: Uppsala University
vinay @vinay3884858805
1 Followers 28 Following
Jiongzhi Zheng (郑�... @jiongzhizheng
32 Followers 342 Following Postdoc researcher at Lawrence Berkeley National Laboratory, PhD(HKUST), Software developer.
BenCree @ChemCree
242 Followers 1K Following Postdoc @RIKEN, PhD from @ColegroupNCL Newcastle University. Computational Chemist/Drug Design & Open Source Dev. Fan of SC2. An English flavoured scientist.
Javier Heras Domingo @jherasdo
115 Followers 218 Following 🎓PhD in Chemistry 🌍 Barcelona City 🥋Black Belt
Cameron J. Owen @cameron_cowen
380 Followers 885 Following AI for Simulations @ Lila | Previously @ Harvard, Cambridge, Univ. Utah | Views my own
Thomas Labuzienski @tlabuzie
267 Followers 2K Following Sports fanatic || Book lover || Marketing @Microsoft and @MSFTQuantum. Previously sports partnerships @Microsoft.
Pradeep Singh Thakur @TheNanoAlkemist
193 Followers 4K Following Senior Researcher @iitroorkee Nanotechnologist | Reticular Chemist | Computer geek | Web Developer | Scientific Illustrator & Communicator
Ian @r0guetrainer
499 Followers 3K Following Quantum quant. PhD QFT ➡️ Software ➡️ Academia ➡️ Software ➡️ Systemic risk ➡️ Quantum information Dad.
MaX CoE @max_center2
2K Followers 869 Following Driving the exascale transition. A European e-infrastructure funded by the EuroHPC Joint Undertaking within Horizon Europe GA 101093374. #MaX_CoE
COSMO Lab 🇨🇭�... @lab_COSMO
4K Followers 455 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
NCCR-MARVEL @nccr_marvel
2K Followers 423 Following NCCR-MARVEL is the Swiss centre on Computational Design and Discovery of Novel Materials funded by the Swiss National Science Foundation @snf_ch. @EPFL_en
Psi-k @Psik_Network
4K Followers 2K Following Psi-k is a network, co-ordinated by a series of working groups, to help build cooperation in the field of electronic structure calculations
CECAM @cecamEvents
4K Followers 66 Following CECAM (Centre Européen de Calcul Atomique et Moléculaire) was founded in Paris in 1969 by Dr Carl Moser. Follow us also on BlueSky: @cecamevents.bsky.social
CSCS Lugano @cscsch
3K Followers 104 Following CSCS, the Swiss National Supercomputing Centre, develops and promotes technical and scientific services in the fields of high-performance computing. #weareAlps
LUMI supercomputer @LUMIhpc
2K Followers 139 Following EuroHPC world-class supercomputer at CSC's data center in collaboration with the LUMI consortium 🇫🇮🇧🇪🇨🇭🇨🇿🇩🇰🇪🇪🇮🇸🇳🇱🇳🇴🇵🇱🇸🇪 #lumisupercomputer
BIG-MAP @BIGMAP_EU
1K Followers 104 Following BIG-MAP (Battery Interface Genome - Materials Acceleration Platform) is part of @2030Battery and funded by @EU_H2020 under grant No. 957189.
Thomas Young Centre @tyc_london
2K Followers 1K Following The Thomas Young Centre is the London-based interdisciplinary research network working on materials and molecular modelling and theoretical chemistry
@EMMC_ASBL @EMMC_ASBL
332 Followers 214 Following The mission of the European Materials Modelling Council is to bring materials modelling closer to the demands of industry!
intersect @intersect_eu
327 Followers 799 Following Interoperable Material-to-Device simulation box for disruptive electronics. A EU H2020-NMBP-TO-IND-2018-2020 funded project under GA 814487.
Arash Mostofi @ArashMostofi
779 Followers 193 Following Professor of Theory and Simulation of Materials at Imperial College London
EPFL Basic Sciences @epflSB
2K Followers 96 Following The official account of EPFL's School of Basic Sciences.
EPFL School of Engine... @EPFLEngineering
4K Followers 382 Following The official account of EPFL's School of Engineering.
EPFL Chemistry @EPFL_CHEM_Tweet
11K Followers 5K Following Institute of chemical sciences and engineering (ISIC) @ Ecole Polytechnique Fédérale de Lausanne (EPFL) - Switzerland
Beilstein-Institut @b... @BeilsteinInst
4K Followers 4K Following Non-profit foundation for the promotion of the chemical sciences. Publisher of Beilstein Journal of Organic Chemistry and Beilstein Journal of Nanotechnology
EOSC Portal @EoscPortal
3K Followers 341 Following The EOSC Portal is a gateway to information and resources in #EOSC. Part of the European Open Science Cloud initiative. #OpenScience
EOSC-hub @EOSC_eu
3K Followers 342 Following Integrating and managing services for the European Open Science Cloud #EOSChub #EOSC #OpenScience #H2020 #openaccess
EPFL Open Science @EPFLOpenScience
1K Followers 635 Following The official account for @EPFL_en's #OpenScience Initiative
Bibliothèque de l'EP... @EPFLlibrary
1K Followers 595 Following Bibliothèque de l'EPFL Rolex Learning Center Providing access to scientific information Facilitating excellence in teaching & research Supporting Open Science
swissuniversities @CH_universities
4K Followers 219 Following
NoMaD @NoMaDCoE
974 Followers 460 Following The European NOMAD (Novel Materials Discovery) Center of Excellence (CoE) develops methods and software for exascale computing, extreme-scale data, and AI.
TOP500 @top500supercomp
7K Followers 105 Following We provide statistics on 500 high performance computers worldwide since 1986. Computers are ranked by their performance on the LINPACK Benchmark.
FZ Jülich-JSC @fzj_jsc
2K Followers 421 Following Jülich Supercomputing Centre operates supercomputers of highest performance, enabling scientists to solve complex problems | 🦣 @[email protected]
CINECA @Cineca1969
6K Followers 1K Following ICT solutions for research and education. Italy’s top supercomputing hub, advancing innovation in computing for academia, industry & public sectors.
ChemAlive SA @SAChemAlive
367 Followers 606 Following ChemAlive SA develops an online #compchem platform driven by #machinelearning and #bigdata for fast, accurate #compchem metrics. #Startup #Chemistry #Innovation
Journal of Physics: C... @JPhysCM
4K Followers 953 Following JPCM is a leading physics journal from @IOPPublishing, covering all aspects of condensed matter physics #condensedmatter #condmat #physics #STM #compchem
ETSF @ETSFlab
226 Followers 48 Following A knowledge center for theoretical spectroscopy https://t.co/fEzNJaMXPu
EPFL @EPFL_en
59K Followers 1K Following Welcome to the official account of EPFL. Compte en français: @EPFL
EPFL @EPFL
56K Followers 1K Following Bienvenue sur le compte officiel de l'EPFL. English account: @EPFL_en
Galli Group at U Chic... @GalliGroup
2K Followers 545 Following Materials and Molecules from First Principles 🖥️ ⚛️ @UChicagoPME, @UChiChemistry, @Argonne Postdoc run account
E-CAM @ECAM2020
532 Followers 338 Following Supporting HPC simulations in industry and academia. Funded by the @EU_H2020 R&I Programme. Any related tweets reflect only the views of the project owner.
Scientific Data @ScientificData
24K Followers 637 Following An #openaccess publication from Nature Research for the description of #scientifically valuable #datasets.
PASC26 @PASC_Conference
827 Followers 223 Following Official Twitter account for the PASC Conference series. PASC26 will be held from June 29 to July 1, 2026. Info on https://t.co/zpesVKOkOa
Quantum ESPRESSO @QuantumESPRESSO
3K Followers 98 Following Integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscaleTrends for United States
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