ATESA: An Automated Aimless Shooting Workflow.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00543
Abstract: Transition path sampling methods are powerful tools for studying the dynamics of rare events in molecular simulations. However, these methods are generally restricted to experts with the knowledge and resources to properly set up and… read more here.
Keywords: automated aimless; aimless shooting; atesa automated; transition path ... See more keywords
Path sampling for lifetimes of metastable magnetic skyrmions and direct comparison with Kramers' method
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.060403
Abstract: We perform a direct comparison between transition state theory and forward flux sampling as a means to compute collapse rates of metastable magnetic skyrmions. We show that a good agreement is obtained between the two… read more here.
Keywords: sampling lifetimes; metastable magnetic; path sampling; direct comparison ... See more keywords