R. Armiento

activity

20132026

most citedMachine Learning Energies of 2 M Elpasolite (ABC

_{2}

_{6}

) Crystals

409 citations · 1.1k across the 33 of their papers we have counts for

collaborators

Showing 2015Show all

2 papers · 1 filter

physics.chem-ph2015★ 409 cited

Machine Learning Energies of 2 M Elpasolite (ABC $_{2}$ D $_{6}$ ) Crystals

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

Elpasolite is the predominant quaternary crystal structure (AlNaK $_{2}$ F $_{6}$ prototype) reported in the Inorganic Crystal Structure Database. We have developed a machine learning mod…

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…

Machine Learning Energies of 2 M Elpasolite (ABC2​D6​) Crystals

Crystal Structure Representations for Machine Learning Models of Formation Energies

Machine Learning Energies of 2 M Elpasolite (ABC $_{2}$ D $_{6}$ ) Crystals