8 citations · 8 across the 1 of their papers we have counts for
3 papers
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Long-Range Machine Learning of Electron Density for Twisted Bilayer Moiré Materials
Zekun Lou, Alan M. Lewis, Mariana Rossi
Moiré superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machin…
Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model
Mariana Rossi, Kevin Rossi, Alan M. Lewis +2
A current challenge in atomistic machine learning is that of efficiently predicting the response of the electron density under electric fields. We address this challenge with symme…