Kinetics from metadynamics: Principles, applications, and outlook

D Ray, M Parrinello - Journal of Chemical Theory and …, 2023 - ACS Publications
Metadynamics is a popular enhanced sampling algorithm for computing the free energy
landscape of rare events by using molecular dynamics simulation. Ten years ago, Tiwary …
被引用次数：27 相关文章

Kinetics from Metadynamics: Principles, Applications, and Outlook

D Ray, M Parrinello - Journal of chemical theory and … - pubmed.ncbi.nlm.nih.gov
Metadynamics is a popular enhanced sampling algorithm for computing the free energy
landscape of rare events by using molecular dynamics simulation. Ten years ago, Tiwary …

Kinetics from Metadynamics: Principles, Applications, and Outlook.

D Ray, M Parrinello - Journal of Chemical Theory and Computation, 2023 - europepmc.org
Metadynamics is a popular enhanced sampling algorithm for computing the free energy
landscape of rare events by using molecular dynamics simulation. Ten years ago, Tiwary …