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pro vyhledávání: '"Benjamin Pampel"'
Publikováno v:
Physical Review E. 107
A common problem that affects simulations of complex systems within the computational physics and chemistry communities is the so-called sampling problem or rare event problem where proper sampling of energy landscapes is impeded by the presences of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0a0dcf74098b0d74b8f93caade3b121
https://doi.org/10.1103/physreve.107.024141
https://doi.org/10.1103/physreve.107.024141
Autor:
Benjamin Pampel, Omar Valsson
Publikováno v:
Journal of Chemical Theory and Computation
Collective variable-based enhanced sampling methods are routinely used on systems with metastable states, where high free energy barriers impede proper sampling of the free energy landscapes when using conventional molecular dynamics simulations. One
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48ff7a68effe42a03de283cfceb15876
https://pubmed.ncbi.nlm.nih.gov/35762642
https://pubmed.ncbi.nlm.nih.gov/35762642