Optimizing special quasirandom structure (SQS) models for accurate functional property prediction in disordered 2D alloys.

Wong, Zicong Marvin; Tan, Teck Leong; Yang, Shuo-Wang; Xu, Guo Qin

Wong, Zicong Marvin; Tan, Teck Leong; Yang, Shuo-Wang; Xu, Guo Qin.

Afiliação

Wong ZM; Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543, Singapore. Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore.

J Phys Condens Matter ; 30(48): 485402, 2018 Dec 05.

Article em En | MEDLINE | ID: mdl-30406769

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Phys Condens Matter Assunto da revista: BIOFISICA Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Singapura

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