Paper Publications

• [1]An atomistic simulation of the structural and vibrational properties of A4Fe3Al32 (A = Th,U).
• [2]First principle calculations of yttrium-doped palladium clusters.
• [3]Theoretical investigation of structural stability and lattice vibrations of U6Fe16Si7 and its interstitial carbide U6Fe16Si7C.
• [4]An atomistic simulation of the site preference and vibrational properties of UMxAl12-x ( M = Fe, Co, Ni, Cr and Mn ) and UMxAl12-xHx.
• [5]Atomistic simulation on the structure and thermodynamic properties of the UCu5Al7 derivatives.
• [6]Atomistic simulation on the site preference and mechanical properties of Th3Co4+xAl12_x and U3Co4+xAl12_x.
• [7]Atomistic simulation on the structure and lattice vibration ofRCo2Al8 (R = La, Ce and Pr).
• [8]Structure and thermodynamic properties of UCu5TAl6 (T = Cr, Mn and Fe).
• [9]“Atomistic simulation for structural and vibrational properties of R2Co7-xMxB3 (R = Y, Gd; M = Ti, V, Cr)”.
• [10]“Investigation of structural stability and site preference of Dy(Fe,T)12 and Dy(Fe,T)12Nx (T = Ti, V, Cr, Nb, Mo)”.