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The goal of the project was to create a neural network that predicts the input to DFT from the results of the experiment. The uses cases for this are to use higher level wave function theories to produce accurate densities and then predict the XC potential that produces a similar output with density functional theory (which will run much faster).
rishavb123/InverseDensityFunctionalTheory
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The goal of the project was to create a neural network that predicts the input to DFT from the results of the experiment. The uses cases for this are to use higher level wave function theories to produce accurate densities and then predict the XC potential that produces a similar output with density functional theory (which will run much faster).
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