Metadynamics

Metadynamics

Jesse Russell Ronald Cohn

     

бумажная книга



ISBN: 978-5-5110-7357-6

High Quality Content by WIKIPEDIA articles! Metadynamics is a technique in computational physics and chemistry, used to improve sampling of a system (or different systems) where ergodicity is hindered by the form of the system`s energy landscape. It was first suggested by Laio and Parrinello in 2002 and is usually applied within molecular dynamics simulations. It closely resembles a number of recent methods such as adaptively biased molecular dynamics, adaptive reaction coordinate forces and local elevation umbrella sampling.