2 papers
cond-mat.mtrl-sci2022
Machine learning based prediction of the electronic structure of quasi-one-dimensional materials under strain
Shashank Pathrudkar, Hsuan Ming Yu, Susanta Ghosh +1
We present a machine learning based model that can predict the electronic structure of quasi-one-dimensional materials while they are subjected to deformation modes such as torsion…
cond-mat.mes-hall2019
Symmetry-adapted real-space density functional theory for cylindrical geometries: application to large X (X=C, Si, Ge, Sn) nanotubes
Swarnava Ghosh, Amartya S. Banerjee, Phanish Suryanarayana
We present a symmetry-adapted real-space formulation of Kohn-Sham density functional theory for cylindrical geometries and apply it to the study of large X (X=C, Si, Ge, Sn) nanotu…