Computational design of nano and meso structures for energy and environmental appl...
Phase diagram of the ternary Pb-Bi-Po(lead-bismuth-polonium) system using ab-initi...
Density functional theory applyed to vibrational dynamics of crystals of ionic sys...
Study of phase transformations under hydrogen absorption and desorption in alloys ...
Ab-initio calculation and thermodynamic modeling of Mo-Si-B ternary system
HYDROGEN STORAGE PROPERTIES OF THE (Ti1+xV1Nb1-x)85Cr15 (x = 0.0, 0.2, 0.5, AND 0...