216 citations · 503 across the 11 of their papers we have counts for
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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…
Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
Hsuan Ming Yu, Amartya S. Banerjee
We present a real-space formulation and implementation of Kohn-Sham Density Functional Theory suited to twisted geometries, and apply it to the study of torsional deformations of X…
Cyclic Density Functional Theory : A route to the first principles simulation of bending in nanostructures
Amartya S. Banerjee, Phanish Suryanarayana
We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) -- a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using ar…