Gargi Agrahari

Improved prediction of heat of mixing and segregation in metallic alloys using tunable mixing rule for embedded atom method

Srikanth Divi, Gargi Agrahari, Sanket Kadulkar et al. · Modelling and Simulation in Materials Science and Engineering · 2017 · 21 citations

Natural Sciences, Materials Engineering, Materials Science +16

Inferring layer-by-layer composition in Au-Ag nanoparticles using a combination of X-ray Photoelectron Spectroscopy and Monte Carlo simulations

Irfan Arif, Gargi Agrahari, Ankit Kumar Gautam et al. · Surface Science · 2019 · 17 citations

Natural Sciences, Materials Engineering, Materials Science +15

Speed-up of Monte Carlo simulations by preparing starting off-lattice structures that are close to equilibrium

Gargi Agrahari, Abhijit Chatterjee · The Journal of Chemical Physics · 2020 · 11 citations

Natural Sciences, Materials Engineering, Materials Science +17

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 Ball, Swati Rana, Gargi Agrahari et al. · Computer Physics Communications · 2023 · 10 citations

Natural Sciences, Chemistry, Materials Science +17