112 citations · 421 across the 14 of their papers we have counts for
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Covariant Jacobi-Legendre expansion for total energy calculations within the projector-augmented-wave formalism
Bruno Focassio, Michelangelo Domina, Urvesh Patil +2
Machine-learning models can be trained to predict the converged electron charge density of a density functional theory (DFT) calculation. In general, the value of the density at a…
Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces
Bruno Focassio, Luis Paulo Mezzina Freitas, Gabriel R. Schleder
Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency…
Magnetic control of Weyl nodes and wave packets in three-dimensional warped semimetals
Bruno Focassio, Gabriel R. Schleder, Adalberto Fazzio +5
We investigate the topological phase transitions driven by band warping and a transverse magnetic field, for three-dimensional Weyl semimetals. First, we use the Chern number as a…