Molecular dynamics simulations of lanthanum chloride by deep learning potential
Taixi Feng, Jia Zhao, Wenshuo Liang, Guimin Lu
Topics & Concepts
Molecular dynamicsCoordination numberLanthanumInteratomic potentialChemical physicsWork (physics)DiffusionRadial distribution functionNeutron diffractionChemistryAb initioMicrostructureMaterials scienceComputational chemistryThermodynamicsCrystallographyPhysicsIonCrystal structureInorganic chemistryOrganic chemistryNuclear Materials and PropertiesMachine Learning in Materials ScienceNuclear reactor physics and engineering