Dayadeep S. Monder

collaborators

2 papers

cond-mat.mtrl-sci2025

First principles phase diagram calculation and theoretical investigation of electronic structure properties of $KCuT e_{1 - x} S e_{x}$ for photocathode applications

Arini Kar, K. R. Balasubramaniam, Dayadeep S. Monder

Recent high-throughput studies of copper-based semiconductors have identified potassium-based copper chalcogenides, KCuA (A $\in$ Te, Se, S) as optimal light absorbers in photovolt…

cond-mat.mtrl-sci2023

Thermodynamic calculations using reverse Monte Carlo: A computational workflow for accelerated construction of phase diagrams for metal hydrides

Swati Rana, Dayadeep S. Monder, Abhijit Chatterjee

Metal hydrides are promising candidates for hydrogen storage applications. From a materials discovery perspective, an accurate, efficient computational workflow is urgently require…

First principles phase diagram calculation and theoretical investigation of electronic structure properties of KCuTe1−x​Sex​ for photocathode applications

Thermodynamic calculations using reverse Monte Carlo: A computational workflow for accelerated construction of phase diagrams for metal hydrides

First principles phase diagram calculation and theoretical investigation of electronic structure properties of $KCuT e_{1 - x} S e_{x}$ for photocathode applications