Učitavanje...
A comparison of weighted ensemble and Markov state model methodologies
Computation of reaction rates and elucidation of reaction mechanisms are two of the main goals of molecular dynamics (MD) and related simulation methods. Since it is time consuming to study reaction mechanisms over long time scales using brute force MD simulations, two ensemble methods, Markov State...
Spremljeno u:
| Izdano u: | J Chem Phys |
|---|---|
| Glavni autori: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
AIP Publishing LLC
2015
|
| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4457661/ https://ncbi.nlm.nih.gov/pubmed/26049485 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4921890 |
| Oznake: |
Dodaj oznaku
Bez oznaka, Budi prvi tko označuje ovaj zapis!
|