2 papers
cond-mat.mtrl-sci2019
DScribe: Library of Descriptors for Machine Learning in Materials Science
Lauri Himanen, Marc O. J. Jäger, Eiaki V. Morooka +5
DScribe is a software package for machine learning that provides popular feature transformations ("descriptors") for atomistic materials simulations. DScribe accelerates the applic…
cond-mat.mtrl-sci2015
Effect of shear strain on band structure and electronic properties of phosphorene
Yashasvi Singh Ranawat, Rishabh Jain
We present an ab-initio investigation of effects of shear strain on band structure and electronic properties of 2D phosphorene. We carried out DFT calculations to determine the she…