Replica-exchange molecular dynamics simulation for supercooled liquids
arXiv:cond-mat/0001042 · doi:10.1103/PhysRevE.61.5473
Abstract
We investigate to what extend the replica-exchange Monte Carlo method is able to equilibrate a simple liquid in its supercooled state. We find that this method does indeed allow to generate accurately the canonical distribution function even at low temperatures and that its efficiency is about 10-100 times higher than the usual canonical molecular dynamics simulation.
6 pages, 5 figures
References in corpus (4)
Cited by in corpus (38)
- Models and algorithms for the next generation of glass transition studies
- Molecular dynamics simulations of glassy polymers
- Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape
- Fast Monte Carlo algorithm for supercooled soft spheres
- Modern computational studies of the glass transition
- Parallel Excluded Volume Tempering for Polymer Melts
- The Static Lengthscale Characterizing the Glass Transition at Lower Temperatures
- Frequency dependent specific heat of viscous silica
- Random Pinning Glass Model
- Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers
- Violation of detailed balance accelerates relaxation
- Density of states of a binary Lennard-Jones Glass
- Composition-induced structural transitions in mixed rare-gas clusters
- Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations
- Ideal glass states are not purely vibrational: Insight from randomly pinned glasses
- Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte-Carlo simulations
- Efficient Monte Carlo simulation of a glass forming binary mixture
- Johari-Goldstein relaxation in glassy dynamics originates from two-scale energy landscape
- Global perspectives on the energy landscapes of liquids, supercooled liquids, and glassy systems: The potential energy landscape ensemble
- Global perspectives on the energy landscapes of liquids, supercooled liquids, and glassy systems: Geodesic pathways through the potential energy landscape
- Equilibration times in numerical simulation of structural glasses: Comparing parallel tempering and conventional molecular dynamics
- Folding is Not Required for Bilayer Insertion: Replica Exchange Simulations of an a-Helical Peptide with an Explicit Lipid Bilayer
- Computer simulations of the glass transition and glassy materials
- Exchange Monte Carlo for Molecular Simulations with Monoelectronic Hamiltonians
- Phase and vortex correlations in Josephson-junction arrays at irrational frustration
- Monte Carlo simulations of glass-forming liquids beyond Metropolis
- Structural Signatures for Thermodynamic Stability in Vitreous Silica: Insight from Machine Learning and Molecular Dynamics Simulations
- Low-Frequency Vibrational States in Ideal Glasses with Random Pinning
- Normalizing flows as an enhanced sampling method for atomistic supercooled liquids
- Creating equilibrium glassy states via random particle bonding
- Instantaneous normal modes of glass-forming liquids during the athermal relaxation process of the steepest descent algorithm
- Characterising the slow dynamics of the swap Monte Carlo algorithm
- Swap Monte Carlo for diatomic molecules
- Nuclear spin relaxation in ordered bimetallic chain compounds
- Active Δ-learning with universal potentials for global structure optimization
- Computational Methods toward Ultrastable Glasses
- Stochastic dynamics without detailed balance condition connecting simple gradient method and Hamiltonian Monte Carlo
- A single-walker approach for studying quasi-ergodic systems