Irreversible Monte Carlo algorithms for hard disk glasses: from event-chain to collective swaps

Abstract

Equilibrium sampling of the configuration space in disordered systems requires algorithms that bypass the glassy slowing down of the physical dynamics. Irreversible Monte Carlo algorithms breaking detailed balance successfully accelerate sampling in some systems. We first implement an irreversible event-chain Monte Carlo algorithm in a model of polydisperse hard disks. The effect of collective translational moves marginally affects the dynamics and results in a modest speedup that decreases with density. We then propose an irreversible algorithm performing collective particle swaps which outperforms all known Monte Carlo algorithms. We show that these collective swaps can also be used to prepare very dense jammed packings of disks.

References in corpus (33)

• Random Packings of Frictionless Particles
• Two-step melting in two dimensions: First-order liquid-hexatic transition
• Gibbs States and the Set of Solutions of Random Constraint Satisfaction Problems
• Models and algorithms for the next generation of glass transition studies
• freud: A Software Suite for High Throughput Analysis of Particle Simulation Data
• A random critical point separates brittle and ductile yielding transitions in amorphous materials
• Jamming transitions in amorphous packings of frictionless spheres occur over a continuous range of volume fractions
• The glass transition of dense fluids of hard and compressible spheres
• Fast Monte Carlo algorithm for supercooled soft spheres
• Event-chain Monte Carlo algorithms for hard-sphere systems
• Equilibrium sampling of hard spheres up to the jamming density and beyond
• Fundamental differences between glassy dynamics in two and three dimensions
• Generalized event-chain Monte Carlo: Constructing rejection-free global-balance algorithms from infinitesimal steps
• Perspective: Nonequilibrium glassy dynamics in dense systems of active particles
• Growing timescales and lengthscales characterizing vibrations of amorphous solids
• Thirty milliseconds in the life of a supercooled liquid
• Zero-temperature glass transition in two dimensions
• Equation of state of a multicomponent d-dimensional hard-sphere fluid
• Efficient swap algorithms for molecular dynamics simulations of equilibrium supercooled liquids
• Fast generation of ultrastable computer glasses by minimization of an augmented potential energy
• Exploring the jamming transition over a wide range of critical densities
• Theory for Swap Acceleration near the Glass and Jamming Transitions
• Ultrastable metallic glasses in silico
• Hard-sphere melting and crystallization with event-chain Monte Carlo
• Event-chain Monte Carlo for classical continuous spin models
• Applicability of dynamic facilitation theory to binary hard disk systems
• Free-then-freeze: transient learning degrees of freedom for introducing function in materials
• Cell-veto Monte Carlo algorithm for long-range systems
• Machine-learning-assisted Monte Carlo fails at sampling computationally hard problems
• Sampling efficiency of transverse forces in dense liquids
• Bypassing sluggishness: SWAP algorithm and glassiness in high dimensions
• Computer simulations of the glass transition and glassy materials
• The Liquid--Hexatic Transition for Soft Disks

Cited by in corpus (12)

• Monte Carlo simulations of glass-forming liquids beyond Metropolis
• Normalizing flows as an enhanced sampling method for atomistic supercooled liquids
• Nonreciprocal Spin-Glass Transition and Aging
• Policy-guided Monte Carlo on general state spaces: Application to glass-forming mixtures
• Exceptionally Dense and Resilient Polydisperse Disk Packings
• Irreversible Boltzmann samplers in dense liquids: weak-coupling approximation and mode-coupling theory
• Characterising the slow dynamics of the swap Monte Carlo algorithm
• Irreversible swap algorithms for soft sphere glasses
• Clever algorithms for glasses work by time reparametrization
• Bosonized one-dimensional quantum systems through enhanced event-chain Monte Carlo
• Computational Methods toward Ultrastable Glasses
• Predicting random close packing of binary hard-disk mixtures via third-virial-based parameters