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cond-mat.mtrl-sci2023★ 4 cited
Ab-initio Study of Electronic and Lattice Dynamical Properties of monolayer ZnO under Strain
Saumen Chaudhuri, A. K. Das, G. P. Das +1
First-principles density functional theory based calculations have been performed to investigate the strain-induced modifications in the electronic and vibrational properties of mo…
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…