73 citations · 73 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024
Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations
Attila Cangi, Lenz Fiedler, Bartosz Brzoza +11
We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for…
cond-mat.mtrl-sci2022★ 73 cited
Predicting electronic structures at any length scale with machine learning
Lenz Fiedler, Normand A. Modine, Steve Schmerler +5
The properties of electrons in matter are of fundamental importance. They give rise to virtually all molecular and material properties and determine the physics at play in objects…