77 citations · 190 across the 6 of their papers we have counts for
10 papers
First principles physics-informed neural network for quantum wavefunctions and eigenvalue surfaces
Marios Mattheakis, Gabriel R. Schleder, Daniel T. Larson +1
Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric…
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…
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…
Unveiling the dopant segregation effect at hematite interfaces
Felipe Crasto de Lima, Gabriel R. Schleder, João B. Souza Junior +5
Understanding the effects of atomic structure modification in hematite photoanodes is essential for the rational design of high-efficiency functionalizations. Recently it was found…
Computational Design of Moiré Assemblies Aided by Artificial Intelligence
Georgios A. Tritsaris, Stephen Carr, Gabriel R. Schleder
Two-dimensional (2D) layered materials, demonstrating significantly different properties from their bulk counterparts, offer a materials platform with potential applications from e…
Structural and electronic properties of realistic two-dimensional amorphous topological insulators
Bruno Focassio, Gabriel R. Schleder, Marcio Costa +2
We investigate the structure and electronic spectra properties of two-dimensional amorphous bismuthene structures and show that these systems are topological insulators. We employ…