MMM Hub Software Spotlight LAMMPS
1:32:14
MMM Hub Software Spotlight: CP2K
1:02:40
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@einstein41
@einstein41 9 ай бұрын
plz provide pdf of slides
@achrafrazzouk4680
@achrafrazzouk4680 9 ай бұрын
I want to apply kinetic monte carlo on material, but I find it difficult
@viniciuspimenta5399
@viniciuspimenta5399 Жыл бұрын
I'm currently taking an internship in PBA's, this was really helpful. Is there somewhere I can find more of Andrew's Goodwin classes on this matter?
@tycadministrator
@tycadministrator Жыл бұрын
Hi Vinicius. Johannes Lischner (www.youtube.com/@condensedmatterphysicsinth9952) organised this seminar, perhaps try this KZbin link which Johannes is associated with.
Жыл бұрын
Great content! Thanks Venkat for the great lecture, and TYC for putting this online!
@christinemcshea532
@christinemcshea532 Жыл бұрын
hi could you reference the NSP13 sars cov2 paper from this video please
@tycadministrator
@tycadministrator Жыл бұрын
Hi @christinemcshea532, the link for the published article is: pubs.rsc.org/en/content/articlehtml/2021/sc/d1sc02775a
@ZiaurRehman-vn6kw
@ZiaurRehman-vn6kw 2 жыл бұрын
where to get QMCpack for windows?
@ZiaurRehman-vn6kw
@ZiaurRehman-vn6kw 2 жыл бұрын
where to get this QMC code and can we use it to calculate electronic properties?
@ZiaurRehman-vn6kw
@ZiaurRehman-vn6kw 2 жыл бұрын
how to use Nvidia GTX 750 Ti GPU to run CASTEP calculations?
@philhasnip4486
@philhasnip4486 Жыл бұрын
Unfortunately, consumer-grade GPUs have very few double-precision floating-point units, so they can't really be used for calculations. This is why MMM Hub, like other HPC facilities, have invested in server-grade GPGPU cards.
@shahrammoradi5698
@shahrammoradi5698 2 жыл бұрын
Robotized measuring absorption spectra ---> kzbin.info/www/bejne/mna6ZoyFbNFoirM For more details see ---> www.nature.com/articles/s43246-022-00235-5
@giovalpa
@giovalpa 2 жыл бұрын
first
@adeshinajohn3988
@adeshinajohn3988 3 жыл бұрын
How can I associate the latent vectors to a property? do I introduce another linear model onto the VAE?
@yousungjung2402
@yousungjung2402 3 жыл бұрын
Yes, one adds another neural network that maps between the latent vectors and their properties that is simultaneously trained with VAE.
@adeshinajohn3988
@adeshinajohn3988 3 жыл бұрын
How does the autoencoder model generalize unto the target property?
@yousungjung2402
@yousungjung2402 3 жыл бұрын
I'm not sure if I understood the question fully, but the autoencoder learns the relation between the materials and their properties by the additional mapping cited above...
@adeshinajohn3988
@adeshinajohn3988 3 жыл бұрын
@@yousungjung2402 thanks for the response. So, by adding one more layer, the model can map the inputs to the target property. please do you have a video of the practicals? I will like to see how this is done. Thanks for the response once again.
@adeshinajohn3988
@adeshinajohn3988 3 жыл бұрын
what model is ASCF?
@yousungjung2402
@yousungjung2402 3 жыл бұрын
It is a typo. Should be ACSF (atom-centered symmetry function).
@738shani
@738shani 3 жыл бұрын
excellent concept,
@johanneslischner4963
@johanneslischner4963 3 жыл бұрын
Yes, it is possible to change the interlayer distance by applying pressure (for example, using the tip of a scanning tunneling microscope). This has been done and it was discovered that the change in interlayer distance results in a change of the precise value of the magic angle. Nowadays, it is possible to make very large graphene sheets (you can find articles on wafer-scale graphene that can be used for photonic devices fabricated using chemical vapour deposition, but these large sheets are not single crystals, I believe).
@ianp3112
@ianp3112 3 жыл бұрын
Are you able to vary the distance between the two graphene sheets at the 'magic' 1.1° angle to see how the measurements change? Non topic question, what is the largest single graphene sheet size to date?
@johanneslischner4963
@johanneslischner4963 3 жыл бұрын
Yes, it is indeed possible to change the interlayer distance in graphene bilayers by applying a pressure (for example, using the tip of a scanning tunnelling microscope). This has been done and it was found that changes in the interlayer distance lead to changes in the precise value of the magic angle. Graphene sheets can be made quite large these days (there are reports of wafer-scale graphene for applications in photonics grown by chemical vapour deposition, but these are not single crystals, I believe).
@ianp3112
@ianp3112 3 жыл бұрын
@@johanneslischner4963 thank you for your reply and information. Have a wonderful day!