Arunima K. Singh

activity

20152025

most citedPrediction of entropy stabilized incommensurate phases in the system MoS

_{2}

-MoTe

_{2}

7 citations · 10 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2025

Fundamental Factors Governing Stabilization of Janus 2D-Bulk Heterostructures with Machine Learning

Tara M. Boland, Rachel Gorelik, Arunima K. Singh

The more-than-6000 2D materials predicted thus far provide a huge combinatorial space for forming functional heterostructures with bulk materials, with potential applications in na…

cond-mat.mtrl-sci2024★ 2 cited

Incorporating quasiparticle and excitonic properties into material discovery

Tathagata Biswas, Arunima K. Singh

In recent years, GW-BSE has been proven to be extremely successful in studying the quasiparticle (QP) bandstructures and excitonic effects in the optical properties of materials. H…

cond-mat.mtrl-sci2023★ 1 cited

Electronic Properties of Ultra-Wide Bandgap B $_{x}$ Al $_{1 - x}$ N Computed from First-Principles Simulations

Cody L. Milne, Tathagata Biswas, Arunima K. Singh

Ultra-wide bandgap (UWBG) materials such as AlN and BN hold great promise for future power electronics due to their exceptional properties. They exhibit large bandgaps, high breakd…

cond-mat.mtrl-sci2015★ 7 cited

Prediction of entropy stabilized incommensurate phases in the system MoS $_{2}$ -MoTe $_{2}$

Benjamin P. Burton, Arunima K. Singh

A first principles phase diagram calculation, that included van der Waals interactions, was performed for the system (1-X) $\cdot$ MoS $_{2}$ -(X) $\cdot$ MoTe $_{2}$ . Surprisingly, the p…

Fundamental Factors Governing Stabilization of Janus 2D-Bulk Heterostructures with Machine Learning

Incorporating quasiparticle and excitonic properties into material discovery

Electronic Properties of Ultra-Wide Bandgap Bx​Al1−x​N Computed from First-Principles Simulations

Prediction of entropy stabilized incommensurate phases in the system MoS2​-MoTe2​

Electronic Properties of Ultra-Wide Bandgap B $_{x}$ Al $_{1 - x}$ N Computed from First-Principles Simulations

Prediction of entropy stabilized incommensurate phases in the system MoS $_{2}$ -MoTe $_{2}$