112 citations · 421 across the 14 of their papers we have counts for
4 papers · 1 filter
Amorphous BiSe structural, electronic, and topological nature by first-principles
Bruno Focassio, Gabriel R. Schleder, F. Crasto de Lima +2
Crystalline is one of the most explored three-dimensional topological insulator, with a energy gap making it promising for applications. Its amorphous…
Machine learning for materials discovery: two-dimensional topological insulators
Gabriel R. Schleder, Bruno Focassio, Adalberto Fazzio
One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to effi…
Machine learning of microscopic ingredients for graphene oxide/cellulose interaction
Romana Petry, Gustavo Silvestre, Bruno Focassio +3
Understanding the role of microscopic attributes in nanocomposites allows for a controlled and, therefore, acceleration in experimental system designs. In this work, we extracted t…
Conformational analysis of tannic acid: environment effects in electronic and reactivity properties
Romana Petry, Bruno Focassio, Gabriel R. Schleder +2
Polyphenols are natural molecules of crucial importance in many applications, of which tannic acid (TA) is one of the most abundant and established. Most high-value applications re…