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Recent development of ML-ωPBE featured as Front Cover of J. Phys. Chem. A! doi.org/10.1021/acs.jp…
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Cheng-Wei Ju
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Stacked ensemble machine learning reconstructs molecular-specific range-separated hybrid functional. ML-ωPBE reproduces range-separation parameter and optical properties produced by OT-ωPBE but reduces computational cost by three orders of magnitude. fal.cn/3j37g