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cond-mat.mtrl-sci2022
A machine learning approach to predict the structural and magnetic properties of Heusler alloy families
Srimanta Mitra, Aquil Ahmad, Sajib Biswas +1
Random forest (RF) regression model is used to predict the lattice constant, magnetic moment and formation energies of full Heusler alloys, half Heusler alloys, inverse Heusler all…
cond-mat.mtrl-sci2022★ 17 cited
Strain induced effects on the electronic and phononic properties of 2H and 1T monolayer MoS
Saumen Chaudhuri, A. K. Das, G. P. Das +1
First-principles calculations, within the framework of density functional theory, have been performed on the well-studied 2H and the less explored 1T phase of single-lay…