Understanding the superior stability and enhanced physical performance of tetragonal XH2 (X = Y, Zr) hydrides over their cubic counterparts via ab-initio computational investigation
Minhajul Islam, Md. Minhajul Islam, Md Murshidul Islam, Md Murshidul Islam
Topics & Concepts
Tetragonal crystal systemChemistryAb initioStability (learning theory)CrystallographyComputational chemistryAb initio quantum chemistry methodsPhysical chemistryChemical physicsCrystal structureMoleculeOrganic chemistryMachine learningComputer scienceHydrogen Storage and MaterialsNuclear Materials and PropertiesRare-earth and actinide compounds