Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code
Computational Physics
2025-12-24 v1 Materials Science
Abstract
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo algorithms and software and discussing their strengths and their weaknesses. We review a range of recent applications of CASINO.
Cite
@article{arxiv.2003.06506,
title = {Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code},
author = {R. J. Needs and M. D. Towler and N. D. Drummond and P. Lopez Rios and J. R. Trail},
journal= {arXiv preprint arXiv:2003.06506},
year = {2025}
}