Periodic boundary conditions effects on atomic dynamics analysis
С. Горбунов, А. Е. Волков, R. Voronkov
Topics & Concepts
Molecular dynamicsBoundary (topology)Periodic boundary conditionsAb initioScatteringStatistical physicsMaterials scienceLithium (medication)SiliconAtomic physicsMolecular physicsBoundary value problemPhysicsComputational physicsChemistryComputational chemistryQuantum mechanicsMathematicsMathematical analysisMetallurgyMedicineEndocrinologyForce Microscopy Techniques and ApplicationsIon-surface interactions and analysisSurface and Thin Film Phenomena