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ENTITY Quantum-chemical methods

Quantum-chemical methods

PulseAugur coverage of Quantum-chemical methods — every cluster mentioning Quantum-chemical methods across labs, papers, and developer communities, ranked by signal.

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  1. TOOL · CL_300793 ·

    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…