12 citations · 12 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.stat-mech2022★ 12 cited
Accelerated calculation of configurational free energy using a combination of reverse Monte Carlo and neural network models: Adsorption isotherm for 2D square and triangular lattices
Akash Kumar Ball, Swati Rana, Gargi Agrahari +1
We demonstrate the application of artificial neural network (ANN) models to reverse Monte Carlo based thermodynamic calculations. Adsorption isotherms are generated for 2D square a…