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A comment on Origin of correlated isolated flat bands in LK99. Parent comment

Re:Origin of correlated isolated flat bands in LK99 by pengaru on Tuesday August 01, 2023 @12:38AM (#36952370)
Disclaimer: this is not my area of expertise in the slightest.

If we have the ability to computationally determine these things without any experimental data needed, and we know we're looking for a specific band structure, wouldn't we just do an automated search of possible chemistries to find everything producing said band structure?

Then just whittle down that list to the easiest to produce and most common materials for the first to test... what am I missing?

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Re:Origin of correlated isolated flat bands in LK99 by jacquesm on Tuesday August 01, 2023 @12:41AM (#36952404)
The parameter space for such a search even with a limited number candidate materials is immense. You'd need to guide the search somehow, that band structure might be the one, or it may not be... and every candidate that you flag will have to be synthesized which may not be all that easy.
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Re:Origin of correlated isolated flat bands in LK99 by 7373737373 on Tuesday August 01, 2023 @04:57AM (#36953897)
Sounds like a good challenge for (Open)AI
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Re:Origin of correlated isolated flat bands in LK99 by fock on Tuesday August 01, 2023 @05:18AM (#36954035)
they are doing that likely.

Google is doing XC-functionals and Alphafold. Facebook catalysts.

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Re:Origin of correlated isolated flat bands in LK99 by callalex on Tuesday August 01, 2023 @01:43PM (#36959528)
What makes a language model well-suited to this task?
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Re:Origin of correlated isolated flat bands in LK99 by 7373737373 on Tuesday August 01, 2023 @04:00PM (#36961824)
I meant to say DeepMind
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Re:Origin of correlated isolated flat bands in LK99 by enraged_camel on Tuesday August 01, 2023 @12:39AM (#36952380)
>> If we have the ability to computationally determine these things without any experimental data needed, and we know we're looking for a specific band structure, wouldn't we just do an automated search of possible chemistries to find everything producing said band structure?

Isn't this a plot point in that one Star Trek movie (episode?) where they go back in time and program a current-day computer to do this?

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