Machine learning advent and derivative discontinuity of DFT functionals over gap state predictions among ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors

Vignesh, D.; Rout, Ela

doi:10.1016/j.commatsci.2023.112583

Computational Materials Science

2024

DOI: 10.1016/j.commatsci.2023.112583

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Machine learning advent and derivative discontinuity of DFT functionals over gap state predictions among ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors

D. Vignesh,

Ela Rout

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2024

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Cited by 7 publications

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Machine learning advent and derivative discontinuity of DFT functionals over gap state predictions among ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors

Cited by 7 publications

References 65 publications

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