Litcius/Paper detail

Machine learning potentials of kaolinite based on the potential energy surfaces of GGA and meta-GGA density functional theory

Keita Kobayashi, A. Yamaguchi, Masahiko Okumura

2022Applied Clay Science19 citationsDOI

Topics & Concepts

KaoliniteDensity functional theoryInelastic neutron scatteringMolecular dynamicsMaterials scienceNeutronPhysicsChemistryStatistical physicsComputational chemistryNeutron scatteringQuantum mechanicsMineralogyClay minerals and soil interactionsSoil and Unsaturated FlowGeological and Geochemical Analysis
Machine learning potentials of kaolinite based on the potential energy surfaces of GGA and meta-GGA density functional theory | Litcius