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AI inofanotaura kuti ndezvipi zvitsva zvingave zviripo, zvigadzikane, uye zviine zvivakwa zvinobatsira, zvichideredza zvakanyanya kutsvaga kuburikidza nenzvimbo iri pedyo-isingaperi yezvinobvira makomisheni.
Teerera kugwaro iriAI-yakarondedzerwa · ~2 min
Izvo zvine basa kumabhatiri, masero ezuva, superconductors, uye catalysts uko kutsvaga zvinhu chaiko kunogona kutora makumi emakore.
AI tools can screen candidate crystals or generate structures under property constraints, but predictions need independent validation. In its 2023 GNoME study, DeepMind reported 381,000 new stable materials and 736 structures independently experimentally verified. MatterGen takes a different generative approach: its diffusion process refines atom types, coordinates, and the periodic lattice, and its paper studies fine-tuning toward property constraints. Computational stability or a generated structure alone does not establish practical synthesizability or useful measured performance.
DeepMind's GNoME inofanotaura mazana ezviuru zvezvitsva zvakagadzika zvekristaro zvimiro uye kuwedzera zvinozivikanwa zvinhu dhatabhesi.
Muchina-wakadzidza interatomic mikana inomhanya nekukurumidza, padhuze-DFT-chaiyo mamorekuru masimba ealloys uye electrolytes.
Mamodheru ekugadzira seMatterGen achikurudzira makristasi anonangwa kune inodiwa bhendi gap kana magineti chivakwa
Kuzvityaira marabhu (semuenzaniso, iyo A-Lab) uko AI inosarudza vamiriri uye marobhoti anogadzirwa uye anoaratidza akazvimirira.
Muganho uri kuvhara loop: dhizaini yekugadzira inokurudzira zvinhu zvakanangwa, AI kuronga nzira yekubatanidza, uye inozvimiririra marobhoti labs kugadzira nekuyera iwo nemhedzisiro inodyisa kumashure mumamodhi. Tarisira kubata zvirinani kwe synthesizability, kwete kungogadzikana kwe thermodynamic, pamwe nekukura mumashini-akadzidzwa interatomic zvinogoneka zvinomhanyisa kuenzanisa kwema molecular padhuze ne-quantum kurongeka asi kukurumidza kukuru, kuvhura zviedzo zvenguva refu uye zvakakura.
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AI inofanotaura kuti ndezvipi zvitsva zvingave zviripo, zvigadzikane, uye zviine zvivakwa zvinobatsira, zvichideredza zvakanyanya kutsvaga kuburikidza nenzvimbo iri pedyo-isingaperi yezvinobvira makomisheni. Izvo zvine basa kumabhatiri, masero ezuva, superconductors, uye catalysts uko kutsvaga zvinhu chaiko kunogona kutora makumi emakore.
Makristasi akasikwa magirafu: maatomu manodhi uye interatomic bond ari mipendero, zvichiita kuti maGNNs adzidze hukama-humwe hukama.
DFT yakarurama asi inodhura; neural surrogates inofungidzira fungidziro yezvivakwa mumamilliseconds kuratidza vazhinji vanokwikwidza.
GNoME yakafanotaura nhamba huru yemakristasi matsva akatsiga, ichiwedzera zvakanyanya dhatabhesi yezvinhu zvevamiriri.
Zvimiro zvemuviri hazvifanirwe kushanduka kana ukatenderedza, kufamba, kana kunyorazve maatomu; kuvaka mune aya masymmetries anovandudza kurongeka uye kugona kwedata.
Autonomous Labs inovhara loop: AI inokurudzira zvinhu uye marobhoti masisitimu anoagadzira uye anoaratidza, achidyisa mhinduro kumhando.
Ramba uchidzidza
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