Quantum Chemistry-Informed Active Learning to Accelerate the Design and Discovery of Sustainable Energy Storage Materials
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DOI: 10.1021/acs.chemmater.0c00768
Abstract: We employed density functional theory (DFT) to compute oxidation potentials of 1400 homobenzylic ether molecules to search for the ideal sustainable redoxmer design. The generated data were used to construct an active learning model based… read more here.
Keywords: active learning; quantum chemistry; chemistry; learning accelerate ... See more keywords
Weak Governance by Informed Active Shareholders
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DOI: 10.1093/rfs/hhaa052
Abstract: Do informed shareholders who can influence corporate decisions improve governance? We demonstrate this may not be generally true in a model of takeovers. The model suggests that a shareholder’s ability to collect information and trade… read more here.
Keywords: value; weak governance; active shareholders; governance informed ... See more keywords