CLOSED LOOP SIMULATION PLATFORM FOR ACCELERATED POLYMER ELECTROLYTE MATERIAL DISCOVERY
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United States of America Patent
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Issued Date -
Jan 11, 2024
app pub date -
Jul 7, 2022
filing date -
Jul 7, 2022
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Abstract
A method of closed loop simulation for accelerated material discovery is described. The method includes ranking a plurality of candidate systems according to corresponding properties of interest predicted by a first prediction model. The method also includes simulating a first top-N of the plurality of candidate systems according to the corresponding properties of interest predicted by the first prediction model. The method further includes re-ranking the plurality of candidate systems according to the corresponding properties of interest predicted by a second prediction model. The method also includes simulating a second top-N of the plurality of candidate systems according to the corresponding properties of interest predicted by the second prediction model.
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