160 citations · 1.2k across the 53 of their papers we have counts for
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cond-mat.mtrl-sci2018★ 2 cited
Electronic structure depiction of magnetic origin in BaTiO thin film: A combined experimental and first-principles based investigation
Supriyo Majumder, Pooja Basera, Malvika Tripathi +4
With the motive of unraveling the origin of native vacancy induced magnetization in ferroelectric perovskite oxide systems, here we explore the consequences of electronic structure…
cond-mat.mtrl-sci2018★ 9 cited
Structure and electronic properties of transition-metal/Mg bimetallic clusters at realistic temperatures and oxygen partial pressures
Shikha Saini, Debalaya Sarker, Pooja Basera +3
Composition, atomic structure, and electronic properties of TMMgO clusters (TM = Cr, Ni, Fe, Co, ) at realistic temperature and partial oxygen pressure…
cond-mat.mtrl-sci2018★ 23 cited
GAtor: A First Principles Genetic Algorithm for Molecular Crystal Structure Prediction
Farren Curtis, Xiayue Li, Timothy Rose +4
We present the implementation of GAtor, a massively parallel, first principles genetic algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and cur…