204 citations · 1.1k across the 28 of their papers we have counts for
26 papers · 1 filter
Exploring chemical compound space with a graph-based recommender system
Elton Ogoshi, Henrique Ferreira, João N. B. Rodrigues +1
With the availability of extensive databases of inorganic materials, data-driven approaches leveraging machine learning have gained prominence in materials science research. In thi…
Perspective on first-principles studies of 2D materials
Asha Yadav, Carlos Mera Acosta, Gustavo M. Dalpian +1
The successful exfoliation of graphene from graphite has brought significant attention to predicting new two-dimensional (2D) materials that can be realized experimentally. As a co…
Hole conductivity through a defect band in
Fernando P. Sabino, Intuon Chatratin, Anderson Janotti +1
Semiconductors with wide band gap (3.0 eV), high dielectric constant (> 10), good thermal dissipation, and capable of - and -type doping are highly desirable for high-energy…
Machine Learning Study of the Magnetic Ordering in 2D Materials
Carlos Mera Acosta, Elton Ogoshi, Jose Antonio Souza +1
Magnetic materials have been applied in a large variety of technologies, from data storage to quantum devices. The development of 2D materials has opened new arenas for magnetic co…
High throughput inverse design and Bayesian optimization of functionalities: spin splitting in two-dimensional compounds
Gabriel M. Nascimento, Elton Ogoshi, Adalberto Fazzio +2
The development of spintronic devices demands the existence of materials with some kind of spin splitting (SS). In this Data Descriptor, we build a database of ab initio calculated…
Intrinsic doping limitations in inorganic lead halide perovskites
Fernando P. Sabino, Alex Zunger, Gustavo M. Dalpian
Inorganic Halide perovskites (HP's) of the CsPbX3 (X=I, Br, Cl) type have reached prominence in photovoltaic solar cell efficiencies. Peculiarly, they have shown, however, an asymm…