Computer Aided Rational Design

Materials for energy applications

Welcome to the Research Group of Abhijit Chatterjee

Supporting Information for Accelerated calculation of the configurational free energy in lattice systems using artificial neural network models: Adsorption isotherm for 2D square and triangular lattices,

Akash Kumar Ball, Swati Rana, Gargi Agrahari and Abhijit Chatterjee

MATLAB code for calculating the equilibrium SRO parameter and chemical potential using Reverse Monte Carlo.


Supplementary Material for "Uncertainty Quantification of Kinetic Monte Carlo Models constructed on-the-fly using Molecular Dynamics", A. Chatterjee, MRS Communications, 2018