Top Tweets for #MaterialsProject
@SecGranholm @BerkeleyLab Thank you Secretary Granholm ! The #MaterialsProject and the A-lab teams @BerkeleyLab are committed to accelerate our development and deployment of new materials for a sustainable energy future.
#MaterialsProject is an extremely successful example of this
NSF invests $26.7 million in building the first-ever prototype open knowledge network | NSF - National Science Foundation https://t.co/M3Qyuq916n
MPcules adds more than 170,000 molecules studied with DFT to the #MaterialsProject database, structured under #FAIR principles. Find out about this resource and how to access it in our next manuscript, from Smith, Persson, et al.: https://t.co/kMhIHZelT9 #openaccess
Don't miss this hot-off-the-press preprint detailing MPculesโ an expansion of the #MaterialsProject which adds molecular properties for over 170,000 molecules. Read this thread for more info, and don't miss their talk at #ACSFall2023!
The #MaterialsProject lists more than 100,000 solid materials. Some of them harbor strings of atoms that can be turned into technologically interesting nanowires, but which ones? A team from @UF has developed a method for finding them. https://t.co/pOnzdiy1Um
๐ขJust made running #DFT calculations ๐ฉโ๐ปwith #RIPER module of #TURBOMOLE a whole lot easier! ๐
Try our new web app ๐ฅ๏ธto generate input files from #CIFs, #MaterialsProject or #PubChem data in seconds. @CMSGFSU
https://t.co/tauy1suRBJ
Join the #MaterialsProject team with the @persson_group at @BerkeleyLab! The team is looking for an Associate Software Developer.
https://t.co/Oo1Jf4u01K
feat. shout-outs to @arks_org @MicrobiomeData @UATconcepts @w3c #MaterialsProject (@persson_group) @recursecenter @GOFAIRofficial @FAIRDOForum #POSI (@CrossrefOrg)
This week join Rory and @donnywinston, founder and principal consultant at Polyneme, a software and #data consultancy.
Donny shares his exciting work at Polyneme, with @FAIR_Points, and as host of the Machine-Centric Science Podcast!
Full episode:
https://t.co/YuxBYgIM3p
A great lecture by #materialsproject about #MI for the development of #catalyst. This lecture gives a wide perspective in the current stage of the field. The #opencatalystproject will be the great opportunity to study the cutting edge of the technology.
https://t.co/fF6ITsdu0l
In our new paper in @SciReports, we describe MISPR, an open-source Python package that we developed to automate and integrate DFT and MD simulations by building upon the tools from the #MaterialsProject.
Code: https://t.co/Wc4xgtCVQG
https://t.co/vjPTX2CEKT
Through data-mining of the #MaterialsProject and with high-throughput quantum-mechanical calculations (#compchem), we identify a variety of inorganic solids with "free-atom-like" electronic states, uncover design principles, and show how this may influence catalytic reactions.
Congrats to @RyanSKingsbury on this excellent paper, out now in npj Computational Materials (@Nature_NPJ)! It was a privilege to work with you on this project, which will surely be a major backbone of the #MaterialsProject for years to come! #compchem
https://t.co/PUlMrhAJt3
r2SCAN is a really great functional, but it's expensive. In our new paper we show how to mix energies from PBE and r2SCAN calculations to update materials databases that only requires a fraction of the total number of calculations.
https://t.co/sTmj5NWhv2
An excellent study by the MIT team in terms of crystal graph convolutional networks. The idea is very simple but is critical. This kinds of study should be respected and thus appropriate for #PRL !
#CGCNN #Materialsproject
https://t.co/WJBLINSKVc
Data to make a cake like this is open & free to the public
1./2. Pull CHGCAR data from new #materialsproject API (web https://t.co/ugACwsoVcv, Shen et al https://t.co/bkiO6I9WRj)
3. Format w/ VESTA
4. Cakeify!
I used BN here, but there's >100k other crystals to choose from ๐
Looking forward to talk about "Harnessing the Power of Cloud-native & #OpenSource for the Success of the #MaterialsProject" at #KongSummit2022 on September 28-29 in San Francisco, CA! Details see https://t.co/nyL8fW0J8E @KPatBerkeley @matproj @persson_group
@donnywinston Really enjoyed talking to you about FAIR data in #MaterialsProject @matproj on your podcast: https://t.co/wNImU47buP Special shoutouts to @kong @OSTIGOV @mscheidgen https://t.co/bcSKP6IgMd @portierauth @KPatBerkeley
listen to @tschaume dive into #FAIRdata for #materialsproject (https://t.co/VhLXPp9S77). @OSTIGOV is a key enabling resource (https://t.co/7P30FSTRap)for PIDs. FAIR Implementation Profile (FIP) drafted (https://t.co/COUsY3By2X) using @dswizard_org.
https://t.co/AHLqvgHVa7
listen to @tschaume dive into #FAIRdata for #materialsproject (https://t.co/VhLXPp9S77). @OSTIGOV is a key enabling resource (https://t.co/7P30FSTRap)for PIDs. FAIR Implementation Profile (FIP) drafted (https://t.co/COUsY3By2X) using @dswizard_org.
https://t.co/AHLqvgHVa7
Thanks @datadoghq for the opportunity to show off #MaterialsProject at the #AWSSummit in DC:
https://t.co/vnhFn2aN5e! :) @awscloud @persson_group @KPatBerkeley @_cloudkate @d_crosario
๐
May 27 #USAfrI 16:10Rwanda//10:10ET
๐(1/2) Opportunities and discussions for US-Africa collaboration, including a special issue in @IOPPublishing from @aschleife, opportunities in #MaterialsProject from Matt Horton, other resources and opportunities from @sineatrix,
Including a special issue from @IOPPublishing with details from @aschleife, opportunities with #MaterialsProject from Matt Horton & more.
Info here: https://t.co/KgOyOMZmHK
Register (free) here at โreserve your seatโ: https://t.co/UFlciinr1U
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