206 citations · 819 across the 79 of their papers we have counts for
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Scaling relation for the adsorption energies at bimetallic magnetic surfaces: Role of surface magnetic moment and work-function
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
The scaling relationships between the adsorption energies of different reaction intermediates have a tremendous effect in the field of surface science, particularly in predicting n…
Semi-classical electronic transport properties of ternary compound AlGaAs: Role of different scattering mechanisms
Soubhik Chakrabarty, Anup Kumar Mandia, Bhaskaran Muralidharan +2
We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs2, using Rode's iterative method. Four scattering mechanisms, have…
Gallium-Boron-Phosphide (GaBP): A New III-V Semiconductor for photovoltaics
Upendra Kumar, Sanjay Nayak, Soubhik Chakrabarty +2
Using machine learning (ML) approach, we unearthed a new III-V semiconducting material having an optimal bandgap for high efficient photovoltaics with the chemical composition of G…
AMMCR: Ab-initio model for mobility and conductivity calculation by using Rode Algorithm
Anup Kumar Mandia, Bhaskaran Muralidharan, Jung-Hae Choi +2
We present a module to calculate the mobility and conductivity of semi-conducting materials using Rode's algorithm. This module uses a variety of electronic structure inputs derive…
Error Minimization in Predicting Accurate Adsorption Energies Using Machine Learning
Sanjay Nayak, Satadeep Bhattacharjee, Jung-Hae Choi +1
Finding the "ideal" catalyst is a matter of great interest in the communities of chemists and material scientists, partly because of its wide spectrum of industrial applications. I…
Inducing half metallicity with alloying in Heusler Compound CoFeMnSb
Upendra Kumar, P. V. Sreenivasa Reddy, Satadeep Bhattacharjee +1
First principles studies were performed in order to find out the possibility of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying it with 3d-transition m…