most citedCrystal Structure Representations for Machine Learning Models of Formation Energies

20 citations · 20 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.str-el2019

Semi-Local Parameterization of the Electron Localization Function in Second-Order Density Gradients

Alexander Lindmaa, Joel Davidsson, Ann E. Mattsson +1

The electron localization function (ELF) is a universal measure of electron localization that allows for, e.g., an effective characterization of physical bonds in molecular and sol…

physics.chem-ph2015★ 20 cited

Crystal Structure Representations for Machine Learning Models of Formation Energies

Felix Faber, Alexander Lindmaa, O. Anatole von Lilienfeld +1

We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids. ML models of atomization e…