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 BallSwati RanaGargi AgrahariAbhijit ChatterjeePublished in: Comput. Phys. Commun. (2023)
Keyphrases
- monte carlo
- neural network model
- free energy
- neural network
- artificial neural networks
- competitive learning
- matrix inversion
- importance sampling
- monte carlo simulation
- markov chain
- upper bound
- belief propagation
- fixed point
- approximate inference
- monte carlo tree search
- posterior distribution
- energy minimization
- least squares
- feature selection
- computer vision