Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
Choudhary, Kamal, Zhang, Qin, Reid, Andrew C.E., Chowdhury, Sugata, Van Nguyen, Nhan, Trautt, Zachary, Newrock, Marcus W., Congo, Faical Yannick, Tavazza, Francesca
Published in Scientific data (08.05.2018)
Published in Scientific data (08.05.2018)
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Journal Article
Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms
Choudhary, Kamal, Zhang, Qin, Reid, Andrew C E, Chowdhury, Sugata, Nhan Van Nguyen, Trautt, Zachary, Newrock, Marcus W, Faical Yannick Congo, Tavazza, Francesca
Published in arXiv.org (03.04.2018)
Published in arXiv.org (03.04.2018)
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Uncertainty Quantification for Materials Properties in Density Functional Theory with k-Point Density
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Year of Publication 06.01.2020
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