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ENTITY Chemical simulations of prebiotic molecules: interstellar ethanimine isomers

Chemical simulations of prebiotic molecules: interstellar ethanimine isomers

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    Machine learning potentials can exceed training accuracy, researchers propose

    A new perspective paper argues that machine learning potentials (MLPs) can surpass the accuracy of the methods used to train them. The authors propose that by generalizing across different quantum-chemical methods, MLPs…