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Event-chain Monte Carlo algorithms for hard-sphere systems.

TLDR
Numerical simulations show that event-chain algorithms clearly outperform the conventional Metropolis method, and reversible versions of the algorithms, which violate detailed balance, improve the speed of the method even further.
Abstract
In this paper we present the event-chain algorithms, which are fast Markov-chain Monte Carlo methods for hard spheres and related systems. In a single move of these rejection-free methods, an arbitrarily long chain of particles is displaced, and long-range coherent motion can be induced. Numerical simulations show that event-chain algorithms clearly outperform the conventional Metropolis method. Irreversible versions of the algorithms, which violate detailed balance, improve the speed of the method even further. We also compare our method with a recent implementations of the molecular-dynamics algorithm.

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Journal ArticleDOI

Two-Step Melting in Two Dimensions: First-Order Liquid-Hexatic Transition

TL;DR: It is shown that melting in hard disks proceeds in two steps with a liquid phase, a hexatic phase, and a solid, and the hexatic-solid transition is continuous while, surprisingly, the liquid-hexatic transition is of first order.
Journal ArticleDOI

Fuzzy spectral clustering by PCCA+: application to Markov state models and data classification

TL;DR: It is demonstrated in this paper that PCCA+ always delivers an optimal fuzzy clustering for nearly uncoupled, not necessarily reversible, Markov chains with transition states.
Journal ArticleDOI

Kosterlitz-Thouless physics: a review of key issues

TL;DR: The origins and the early work on transitions driven by topological defects such as vortices in the two dimensional planar rotor model and in (4)Helium films and dislocations and disclinations in 2D crystals are reviewed.
Journal ArticleDOI

Rejection-free Monte Carlo sampling for general potentials.

TL;DR: A Monte Carlo method to sample the classical configurational canonical ensemble is introduced, where all particles move simultaneously, and a straight event-chain implementation is introduced.
References
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Journal ArticleDOI

Equation of state calculations by fast computing machines

TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
Journal ArticleDOI

Nonuniversal critical dynamics in Monte Carlo simulations

TL;DR: A new approach to Monte Carlo simulations is presented, giving a highly efficient method of simulation for large systems near criticality, despite the fact that the algorithm violates dynamic universality at second-order phase transitions.
Journal ArticleDOI

Phase Transition for a Hard Sphere System

TL;DR: In this article, a method for solving the simultaneous classical equation of motion of several hundred particles by means of fast electronic computers is described. But the method is not suitable for large numbers of particles.
Journal ArticleDOI

Collective Monte Carlo updating for spin systems.

TL;DR: A Monte Carlo algorithm is presented that updates large clusters of spins simultaneously in systems at and near criticality and its efficiency is demonstrated in the two-dimensional $\mathrm{O}(n)$ $\ensuremath{\sigma}$ models.
Journal ArticleDOI

Theory of Two-Dimensional Melting

TL;DR: In this article, the consequences of dislocation-mediated two-dimensional melting are worked out for triangular lattices, and the critical behavior, as well as the effect of a periodic substrate, is discussed.
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