121 citations · 477 across the 17 of their papers we have counts for
4 papers · 1 filter
GWBSE: A high throughput workflow package for GW-BSE calculations
Tathagata Biswas, Arunima K. Singh
We develop an open-source python workflow package, GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body…
Ab-initio Prediction of Ultra-Wide Band Gap BAlN Materials
Cody Milne, Arunima Singh, Tathagata Biswas
Ultra-wide band gap (UWBG) materials are poised to play an important role in the future of power electronics. Devices made from UWBG materials are expected to operate at higher vol…
Electrocatalytic Study for Hydrogen Evolution Reaction on MoS/BP and MoSSe/BP in Acidic Media
Arunima Singh, Preeti Bhumla, Manjari Jain +1
Molecular hydrogen (H) production by electrochemical hydrogen evolution reaction (HER) is being actively explored for non-precious-metal based electrocatalysts that are earth-a…
Physical and Thermoelectric Properties of 2D BC Nanosheets
Adway Gupta, Tathagata Biswas, Arunima K. Singh
Boron carbide (BC) has been well studied both theoretically and experimentally in its bulk form due to its exceptional hardness and use as a high temperature thermoelectric. Ho…