Journal Club do Departamento de Física dos Materiais e Mecânica
Nesta semana o pós-graduando Carlos Augusto Mera Acosta, do Grupo Teórico de Materiais do DFMT, apresentará o artigo
Big Data of Materials Science: Critical Role of the Descriptor
Luca M. Ghiringhelli et al.
Abtract:
Statistical learning of materials properties or functions so far starts with a largely silent, nonchallenged step: the choice of the set of descriptive parameters (termed descriptor). However, when the scientific connection between the descriptor and the actuating mechanisms is unclear, the causality of the learned descriptor-property relation is uncertain. Thus, a trustful prediction of new promising materials, identification of anomalies, and scientific advancement are doubtful. We analyze this issue and define requirements for a suitable descriptor. For a classic example, the energy difference of zinc blende or wurtzite and rocksalt semiconductors, we demonstrate how a meaningful descriptor can be found systematically.
Data: 04 de abril de 2018 (quarta-feira)
Horário: às 12h10min
Local: Sala de Seminários José Roberto Leite - Edifício Alessandro Volta (bloco C)
_____________________________________________
Fonte da notícia:
Secretaria do Departamento de Física dos
Materiais e Mecânica - DFMT
_____________________________________________
