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Pieter H. W. van der Hoek

Publications and source records attributed to Pieter H. W. van der Hoek.

4 recordsLinked to original sources

Coherent modeling of double-folded ring polymers and their underlying random tree structure

Topologically constrained genome-like polymers often double-fold into tree-like configurations, which can be modelled on the level of folded (ring) polymers or on the level of the underlying random trees. For both descriptions, we have recently obtained expressions for the configurational entropy in ensembles with controlled branching activity. Here we demonstrate that they are equivalent up to a contribution originating from the number of distinct wrappings of a single tree. This allows us to develop a coherent framework for freely switching between the two representations. Importantly, the equivalence extends to interacting systems provided the interactions are treated consistently on the tree and on the ring level. To demonstrate the utility of the scheme, we introduce a generalization of the Amoeba Monte Carlo algorithm capable of generating the required ensembles of trees with fluctuating sizes. While the tree algorithm reproduces results obtained by dynamic simulations of the corresponding ring model, it is $O(N)$ faster for the purpose of sampling static properties and leverages the utility of the ring model for the study of dynamical properties, when used for the preparation of equilibrated starting states.

cond-mat.soft↗

Configurational entropy of randomly double-folding ring polymers

Topologically constrained genome-like polymers often double-fold into tree-like configurations. Here we calculate the exact number of tightly double-folded configurations available to a ring polymer in ideal conditions. For this purpose, we introduce a scheme which allows us to define a ``code'' specifying how a ring wraps a randomly branching tree and calculate the number of admissible wrapping codes via a variant of Bertrand's ballot theorem. As a validation, we demonstrate that data from Monte Carlo simulations of an elastic lattice model of non-interacting tightly double-folded rings with controlled branching activity are in excellent agreement with exact expressions for branch-node and tree size statistics that can be derived from our expression for the ring entropy.

cond-mat.soft↗

The configurational entropy of random trees

We present a graph theoretical approach to the configurational statistics of random tree-like objects, such as randomly branching polymers. In particular, for ideal trees we show that Prüfer labelling provides: (i) direct access to the exact configurational entropy as a function of the tree composition, (ii) computable exact expressions for partition functions and important experimental observables for tree ensembles with controlled branching activity and (iii) an efficient sampling scheme for corresponding tree configurations and arbitrary static properties.

cond-mat.stat-mech↗

Amoeba Monte Carlo algorithms for random trees with controlled branching activity: efficient trial move generation and universal dynamics

The reptation Monte Carlo algorithm is a simple, physically motivated and efficient method for equilibrating semi-dilute solutions of linear polymers. Here we propose two simple generalizations for the analogue {\it Amoeba} algorithm for randomly branching chains, which allow to efficiently deal with random trees with controlled branching activity. We analyse the rich relaxation dynamics of Amoeba algorithms and demonstrate the existence of an unexpected scaling regime for the tree relaxation. In particular, our results suggests that the equilibration time for Amoeba algorithms scales in general like $N^2 \langle n_{\rm lin}\rangle^Δ$, where $N$ denotes the number of tree nodes, $\langle n_{\rm lin}\rangle$ the mean number of linear segments the trees are composed of and $Δ\simeq 0.4$.

cond-mat.soft↗