Banca de QUALIFICAÇÃO: ELTON OGOSHI DE MELO

Uma banca de QUALIFICAÇÃO de DOUTORADO foi cadastrada pelo programa.
DISCENTE : ELTON OGOSHI DE MELO
DATA : 26/02/2021
HORA: 09:00
LOCAL: Online
TÍTULO:

Materials informatics methods applied to spin splitting and band gap directness in semiconductors

PÁGINAS: 45
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
SUBÁREA: Física da Matéria Condensada
ESPECIALIDADE: Estados Eletrônicos
RESUMO:

As many solutions and new technologies are directly linked to the development of novel materials and the design of devices, the demand for more efficient and theory driven workflows is made evident. In this context, many advancements on computational methods are making possible the emergence of projects such as AFLOWlib, The Materials Project  and OQMD, notable examples of the increasing effort of the Materials Science community towards a more data-driven research, a field currently named Materials Informatics. These databases are generated through high-throughput calculations based on Quantum Mechanics - specifically on the Density Functional Theory (DFT). The output of these calculations then can be used as a dataset for materials screening and as a starting point for higher complexity calculations and as input for Machine Learning methods. In this work we used this kind of methodology to study spin splittings in 2D and 3D materials, and also to learn physical properties (band gap directness in semiconductors) using machine learning algorithms.

MEMBROS DA BANCA:
Presidente - Interno ao Programa - 2218228 - LUANA SUCUPIRA PEDROZA
Membro Titular - Examinador(a) Interno ao Programa - 1552290 - ANDRE SANTAROSA FERLAUTO
Membro Titular - Examinador(a) Externo ao Programa - 1309493 - PEDRO ALVES DA SILVA AUTRETO
Membro Titular - Examinador(a) Externo à Instituição - ROBERTO HIROKI MIWA - UFU
Membro Suplente - Examinador(a) Interno ao Programa - 1545089 - DANIEL ZANETTI DE FLORIO
Membro Suplente - Examinador(a) Interno ao Programa - 1671688 - ANDRE SARTO POLO
Membro Suplente - Examinador(a) Externo ao Programa - 1544403 - MAURICIO DOMINGUES COUTINHO NETO
Membro Suplente - Examinador(a) Externo à Instituição - ALEXANDRE REILY ROCHA - UNESP