Thomas Prellberg: Simulating Models of Polymer Collapse
Abstract:
We present a flat histogram algorithm based on the pruned and enriched Rosenbluth method [1,2]. This algorithm incorporates in a straightforward manner microcanonical reweighting techniques, leading to flat histogram sampling in the chosen parameter space. As an additional benefit, our algorithm is completely parameter free and, hence, easy to implement.
We apply this algorithm to the study of several models of polymers. We discuss the intricate interplay between bulk and surface interactions in the presence of an external pulling force [3-6], discuss intriguing results on the sensitivity of the collapse transition on the details of the chosen lattice model [7-8], and present results for a lattice model with hydrogen-like interactions [9-10].

[1] T. Prellberg and J. Krawczyk, Flat histogram version of the pruned and enriched Rosenbluth method, Phys. Rev. Lett. 92 (2004) 120602; selected for Virt. J. Biol. Phys. Res. 7 (2004)
[2] T. Prellberg, J. Krawczyk, and A. Rechnitzer, Polymer simulations with a at histogram stochastic growth algorithm, Computer Simulation Studies in Con- densed Matter Physics XVII, pages 122-135, Springer Verlag, 2006
[3] J. Krawczyk, T. Prellberg, A. L. Owczarek, and A. Rechnitzer, Stretching of a chain polymer adsorbed at a surface, Journal of Statistical Mechanics: theory and experiment, JSTAT (2004) P10004
[4] J. Krawczyk, A. L. Owczarek, T. Prellberg, and A. Rechnitzer, Layering transitions for adsorbing polymers in poor solvents, Europhys. Lett. 70 (2005) 726-732
[5] J. Krawczyk, A. L. Owczarek, T. Prellberg, and A. Rechnitzer, Pulling ab- sorbing and collapsing polymers off a surface, Journal of Statistical Mechanics: theory and experiment, JSTAT (2005) P05008 Alternative lattice models
[6] A. L. Owczarek, A. Rechnitzer, J. Krawczyk, and T. Prellberg, On the location of the surface-attached globule phase in collapsing polymers, J. Phys. A 40 (2007) 13257-13267
[7] A. L. Owczarek and T. Prellberg, Collapse transition of self-avoiding trails on the square lattice, Physica A 373 (2007) 433-438
[8] J. Krawczyk, T. Prellberg, A. L. Owczarek, and A. Rechnitzer, On a type of self-avoiding random walk with multiple site weightings and restrictions, Phys. Rev. Lett. 96 (2006) 240603; selected for Virt. J. Biol. Phys. Res. 12 (2006)
[9] J. Krawczyk, A. L. Owczarek, and T. Prellberg, The competition of hydrogen-like and isotropic interactions in polymer collapse, Journal of Statistical Mechanics: theory and experiment, JSTAT (2007) P09016
[10] J. Krawczyk, A. L. Owczarek, T. Prellberg, and A. Rechnitzer, A Lattice Model for Parallel and Orthogonal Beta-Sheets using Hydrogen-Like Bonding, Phys. Rev. E 76 (2007) 051904; selected for Virt. J. Biol. Phys. Res. 14 (2007)