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physics.comp-ph2022
Solution of the Schrodinger equation for quasi-one-dimensional materials using helical waves
Shivang Agarwal, Amartya S. Banerjee
We formulate and implement a spectral method for solving the Schrodinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of t…
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…