Regensburg 2019 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
CPP: Fachverband Chemische Physik und Polymerphysik
CPP 40: Modeling and Simulation of Soft Matter I (joint session CPP/DY)
CPP 40.2: Vortrag
Mittwoch, 3. April 2019, 15:15–15:30, H18
Simulation of a large polymer with untruncated interaction near the collapse — •Stefan Schnabel and Wolfhard Janke — Universität, Leipzig
Off-lattice polymer models usually incorporate monomer-monomer interactions that act – at least in principle – at any distance. In consequence, calculating the energy and in particular the change in energy during a Monte Carlo move is typically an operation of computational complexity O(N2), where N is the number of monomers. Since this complexity is inherited by the individual Monte Carlo move, only small polymers can be simulated without truncating the interaction potentials. We show how this can be avoided at temperatures near or above the collapse transition by using a Metropolis algorithm that tolerates inaccurate estimates of Δ E and present results for a polymer with Lennard-Jones interactions and N≤65536.