6533b81ffe1ef96bd1278780
RESEARCH PRODUCT
Enhanced sampling in simulations of dense systems
Wolfgang PaulMarcus Müllersubject
Hardware and ArchitectureMonte Carlo methodRelaxation (NMR)General Physics and AstronomyCollapse (topology)Sampling (statistics)Statistical physicsStatistical mechanicsSpace (mathematics)Dense packingMathematicsdescription
In the simulations of a variety of systems we encounter the problem of large relaxation times due to the dense packing of the systems constituents. We propose an algorithm to overcome this slowing down by temporarily allowing the constituents of a 3d systems to escape into a 4th space coordinate. The idea will be exemplified for the problem of a homopolymer collapse.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2002-06-01 | Computer Physics Communications |