FLAME: A library of atomistic modeling environments
Maximilian Amsler, Samare Rostami, Hossein Tahmasbi, Ehsan Rahmatizad Khajehpasha, Somayeh Faraji, Robabe Rasoulkhani, S. Alireza Ghasemi
Topics & Concepts
Maxima and minimaMetastabilitySaddle pointMolecular dynamicsAb initioRange (aeronautics)Energy landscapeStatistical physicsComputer sciencePotential energy surfaceArtificial neural networkPotential energySoftwareComputational scienceGround stateMaterials scienceChemical physicsPhysicsChemistryComputational chemistryAtomic physicsThermodynamicsMathematicsArtificial intelligenceQuantum mechanicsProgramming languageComposite materialGeometryMathematical analysisMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesCatalysis and Oxidation Reactions