Name
Abstract | ||
|---|---|---|
We propose a new approach to the transfer operator based analysis of the conformation dynamics of molecules. It is based on a statistical independence ansatz for the eigenfunctions of the operator related to a partitioning into subsystems. Numerical tests performed on small systems show excellent qualitative agreement between mean field and exact model, at greatly reduced computational cost. |
Year | DOI | Venue |
|---|---|---|
2009 | 10.1137/080745262 | MULTISCALE MODELING & SIMULATION |
Keywords | Field | DocType |
molecular dynamics,conformation dynamics,transfer operator,mean field approximation | Ansatz,Numerical tests,Mathematical optimization,Eigenfunction,Mathematical analysis,Mean field theory,Operator (computer programming),Molecular dynamics,Independence (probability theory),Mathematics,Transfer operator | Journal |
Volume | Issue | ISSN |
8 | 1 | 1540-3459 |
Citations | PageRank | References |
1 | 0.61 | 3 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Gero Friesecke | 1 | 9 | 10.93 |
| Oliver Junge | 2 | 128 | 21.57 |
| Péter Koltai | 3 | 19 | 3.87 |