1 code implementation • 23 Sep 2023 • Pablo A. M. Casares, Jack S. Baker, Matija Medvidovic, Roberto dos Reis, Juan Miguel Arrazola
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability.
no code implementations • 2 Dec 2020 • Matija Medvidovic, Juan Carrasquilla, Lauren E. Hayward, Bohdan Kulchytskyy
We explore a self-learning Markov chain Monte Carlo method based on the Adversarial Non-linear Independent Components Estimation Monte Carlo, which utilizes generative models and artificial neural networks.
Disordered Systems and Neural Networks Statistical Mechanics Computational Physics