Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram

Abstract

We describe an efficient Monte Carlo algorithm using a random walk in energy space to obtain a very accurate estimate of the density of states for classical statistical models. The density of states is modified at each step when the energy level is visited to produce a flat histogram. By carefully controlling the modification factor, we allow the density of states to converge to the true value very quickly, even for large systems. This algorithm is especially useful for complex systems with a rough landscape since all possible energy levels are visited with the same probability. In this paper, we apply our algorithm to both 1st and 2nd order phase transitions to demonstrate its efficiency and accuracy. We obtained direct simulational estimates for the density of states for two-dimensional ten-state Potts models on lattices up to $200\times 200$ and Ising models on lattices up to $256\times 256$. Applying this approach to a 3D $\pm J$ spin glass model we estimate the internal energy and entropy at zero temperature; and, using a two-dimensional random walk in energy and order-parameter space, we obtain the (rough) canonical distribution and energy landscape in order-parameter space. Preliminary data suggest that the glass transition temperature is about 1.2 and that better estimates can be obtained with more extensive application of the method.

22 pages (figures included)

Cited by in corpus (358)

• Continuous-time Monte Carlo methods for quantum impurity models
• The ALPS project release 1.3: open source software for strongly correlated systems
• The ALPS project release 2.0: Open source software for strongly correlated systems
• Biological and synthetic membranes: What can be learned from a coarse-grained description?
• Feedback-optimized parallel tempering Monte Carlo
• ESPResSo 4.0 -- An Extensible Software Package for Simulating Soft Matter Systems
• Accelerate Monte Carlo Simulations with Restricted Boltzmann Machines
• Fast Algorithm to Calculate Density of States
• On the Wang-Landau Method for Off-Lattice Simulations in the "Uniform" Ensemble
• Equi-energy sampler with applications in statistical inference and statistical mechanics
• Reconstructing the Density of States by History-Dependent Metadynamics
• Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations
• Wang-Landau algorithm for continuous models and joint density of states
• Wang-Landau Algorithm: a Theoretical Analysis of the Saturation of the Error
• Avoiding Boundary Effects in Wang-Landau Sampling
• Calculation of surface tension via area sampling
• Coarse-Grained Residue-Based Models of Disordered Protein Condensates: Utility and Limitations of Simple Charge Pattern Parameters
• A generic, hierarchical framework for massively parallel Wang-Landau sampling
• Performance Limitations of Flat Histogram Methods and Optimality of Wang-Landau Sampling
• Power of Pausing: Advancing Understanding of Thermalization in Experimental Quantum Annealers
• Automatic Coarse Graining of Polymers
• Wang-Landau sampling for quantum systems: algorithms to overcome tunneling problems and calculate the free energy
• Computation of free energy profiles with parallel adaptive dynamics
• Microcanonical entropy inflection points: Key to systematic understanding of transitions in finite systems
• Spin state transition and covalent bonding in LaCoO3
• Transitions of tethered polymer chains: A simulation study with the bond fluctuation lattice model
• Versatile approach to access the low temperature thermodynamics of lattice polymers and proteins
• Analytic Continuation of Quantum Monte Carlo Data by Stochastic Analytical Inference
• Potential of Mean Force between a Spherical Particle Suspended in a Nematic Liquid Crystal and a Substrate
• Scalable replica-exchange framework for Wang-Landau sampling
• Properties of highly frustrated magnetic molecules studied by the finite-temperature Lanczos method
• Applicability of scaling behavior and power laws in the analysis of the magnetocaloric effect in second-order phase transition materials
• Identifying polymer states by machine learning
• Multicritical Points and Crossover Mediating the Strong Violation of Universality: Wang-Landau Determinations in the Random-Bond $d=2$ Blume-Capel model
• Convergence and Refinement of the Wang-Landau Algorithm
• Strong Violation of Critical Phenomena Universality: Wang-Landau Study of the 2d Blume-Capel Model under Bond Randomness
• Population annealing: Theory and application in spin glasses
• Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions
• Lack of self-averaging of the specific heat in the three-dimensional random-field Ising model
• Density of States for a Specified Correlation Function and the Energy Landscape
• First-order phase transition and tricritical scaling behavior of the Blume-Capel model: a Wang-Landau sampling approach
• Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies
• Currents and Green's functions of impurities out of equilibrium -- results from inchworm Quantum Monte Carlo
• The pressure of the SU(N) lattice gauge theory at large-N
• Constraining Warm Inflation with CMB data
• Scaling Properties of a Parallel Implementation of the Multicanonical Algorithm
• Pathways to self-organization: crystallization via nucleation and growth
• Optimal Modification Factor and Convergence of the Wang-Landau Algorithm
• Wang-Landau Monte Carlo simulation of isotropic-nematic transition in liquid crystals
• Optimized Wang-Landau sampling of lattice polymers: Ground state search and folding thermodynamics of HP model proteins
• Smallest Neural Network to Learn the Ising Criticality
• Density of states of a binary Lennard-Jones Glass
• Phase transitions and anomalous normal state in superconductors with broken time reversal symmetry
• Microcanonical Approach to the Simulation of First-Order Phase Transitions
• Thermodynamics of the BMN matrix model at strong coupling
• Estimation of critical behavior from the density of states in Classical Statistical Models
• Simulation via Direct Computation of Partition Functions
• Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations
• Monte Carlo Tests of Nucleation Concepts in the Lattice Gas Model
• Ground states and thermal states of the random field Ising model
• Sequence determines degree of knottedness in a coarse-grained protein model
• Entropic sampling via Wang-Landau random walks in dominant energy subspaces
• Generic folding and transition hierarchies for surface adsorption of hydrophobic-polar lattice model proteins
• First-order transition features of the 3D bimodal random-field Ising model
• Systematic coarse graining: "Four lessons and a caveat" from nonequilibrium statistical mechanics
• Solid-solid phase transition in hard ellipsoids
• Multiple Phase Transitions in Extended Hard Core Lattice Gas Models in Two Dimensions
• Phase diagram and critical behavior of the square-lattice Ising model with competing nearest- and next-nearest-neighbor interactions
• Large-deviation properties of the largest biconnected component for random graphs
• Localised $\mathbf{Ad}{\mathbf{S}}_5\times {\mathbf{S}}^5$ Black Holes
• Hard sphere fluids confined between soft repulsive walls: A comparative study using Monte Carlo and density functional methods
• Numerical study of the random field Ising model at zero and positive temperature
• Thermalization, freeze-out and noise: deciphering experimental quantum annealers
• Improving Wang-Landau sampling with adaptive windows
• Density-functional Monte-Carlo simulation of CuZn order-disorder transition
• Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang-Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics
• Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling
• Quantum Monte Carlo simulation in the canonical ensemble at finite temperature
• Emergence of cooperative bistability and robustness of gene regulatory networks
• From amorphous aggregates to polymer bundles: The role of stiffness on structural phases in polymer aggregation
• Parallel multicanonical study of the three-dimensional Blume-Capel model
• Scaling Laws and Critical Properties for $FCC$ and $HCP$ Metals
• Absence of Dipole Glass Transition for Randomly Dilute Classical Ising Dipoles
• Wang-Landau sampling: Improving accuracy
• Continuous demixing at liquid-vapor coexistence in a symmetrical binary fluid mixture
• Entropy and density of states from isoenergetic nonequilibrium processes
• Phase diagram of a two-dimensional lattice gas model of a ramp system
• Monte Carlo simulations of the HP model (the "Ising model" of protein folding)
• Multicanonical sampling of rare events in random matrices
• Exact solution for a quantum compass ladder
• Critical and tricritical singularities from small-scale Monte Carlo simulations: The Blume-Capel model in two dimensions
• Random Walk over Basins of Attraction to Construct Ising Energy Landscapes
• A one-dimensional dipole lattice model for water in narrow nanopores
• Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm
• Massively parallel multicanonical simulations
• Magnetic ordered structure dependence of magnetic refrigeration efficiency
• Study of first-order interface localization-delocalization transition in thin Ising-films using Wang-Landau sampling
• Wang-Landau sampling: a criterion for halting the simulations
• Multicanonical MCMC for Sampling Rare Events
• Ising metamagnets in thin film geometry: equilibrium properties
• Anharmonic Infrared Spectra of Thermally Excited Pyrene(C${}_{16}$H${}_{10}$): the combined view of DFT-based GVPT2 with AnharmonicCaOs and approximate DFT molecular dynamics with DemonNano
• Quenched bond randomness in marginal and non-marginal Ising spin models in 2D
• Analysis and Optimization of Population Annealing
• Structure of molecular liquids: cavity and bridge functions of the hard spheroid fluid
• Wang-Landau study of the triangular Blume-Capel ferromagnet
• A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang-Landau sampling
• Monte Carlo simulations of $\mathrm{NiF}{\mathrm{e}}_2{\mathrm{O}}_4$ Nanoparticles
• Logarithmic finite-size scaling correction to the leading Fisher zeros in the p-state clock model: A higher-order tensor renormalization group study
• Wetting and interfacial adsorption in the Blume-Capel model on the square lattice
• Enhanced sampling in generalized ensemble with large gap of sampling parameter: case study in temperature space random walk
• Dynamics of the Wang-Landau algorithm and complexity of rare events for the three-dimensional bimodal Ising spin glass
• Global perspectives on the energy landscapes of liquids, supercooled liquids, and glassy systems: The potential energy landscape ensemble
• Identifying transitions in finite systems by means of partition function zeros and microcanonical inflection-point analysis: A comparison for elastic flexible polymers
• Optimized ensemble Monte Carlo simulations of dense Lennard-Jones fluids
• GPU accelerated Monte Carlo simulations of lattice spin models
• Difference of energy density of states in the Wang-Landau algorithm
• Overcoming the critical slowing down of flat-histogram Monte Carlo simulations: Cluster updates and optimized broad-histogram ensembles
• Uniform hopping approach to the FM Kondo Model at finite temperature
• A mapping space Odyssey: characterising the statistical and metric properties of reduced representations of macromolecules
• Critical behavior of the pure and random-bond two-dimensional triangular Ising ferromagnet
• Comparing parallel and simulated tempering enhanced sampling algorithms at phase transition regimes
• Evaluation of the grand-canonical partition function using Expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of Silicon
• Moral foundations in an interacting neural networks society
• Discontinuous phase transition in a dimer lattice gas
• First-order transitions and thermodynamic properties in the 2D Blume-Capel model: the transfer-matrix method revisited
• Multicanonical entropy like-solution of statistical temperature weighted histogram analysis method (ST-WHAM)
• Study of the Fully Frustrated Clock Model using the Wang-Landau Algorithm
• Performance of Wang-Landau algorithm in continuous spin models and a case study : modified XY-model
• First-order transition features of the triangular Ising model with nearest- and next-nearest-neighbor antiferromagnetic interactions
• Sampling the two-dimensional density of states g(E,M) of a giant magnetic molecule using the Wang-Landau method
• Fictitious excitations in the classical Heisenberg antiferromagnet on the kagome lattice
• Universality aspects of the 2d random-bond Ising and 3d Blume-Capel models
• First principles model for voids decorated by transmutation solutes: Short-range order effects and application to neutron irradiated tungsten
• A generalized magnetic refrigeration scheme
• Ising universality in the two-dimensional Blume-Capel model with quenched random crystal field
• Two-dimensional lattice polymers: adaptive windows simulations
• Control of accuracy in the Wang-Landau algorithm
• Wang-Landau molecular dynamics technique to search for low-energy conformational space of proteins
• Fast Flat-Histogram Method for Generalized Spin Models
• Thermodynamics of the classical spin-ice model with nearest neighbour interactions using the Wang-Landau algorithm
• Complete high-precision entropic sampling
• Methods to Compute Pressure and Wall Tension in Fluids containing Hard Particles
• Phase Transition and Interpore Correlations of Water in Nanopore Membranes
• The isotropic-to-nematic transition in confined liquid crystals : an essentially non-universal phenomenon
• Evolution enhances mutational robustness and suppresses the emergence of a new phenotype: A new computational approach for studying evolution
• Perils of Embedding for Sampling Problems
• Finite size scaling and first order phase transition in a modified XY-model
• Phase transition of a single star polymer: a Wang-Landau sampling study
• First-order phase transitions: A study through the parallel tempering method
• Robustness Leads Close to the Edge of Chaos in Coupled Map Networks: toward the understanding of biological networks
• Strain fluctuations unlock ferroelectricity in wurtzites
• Using zeros of the canonical partition function map to detect signatures of a Berezinskii-Kosterlitz-Thouless transition
• Estimating the Density of States of Frustrated Spin Systems
• Introduction to Monte Carlo Methods
• Three-dimensional patchy lattice model for empty fluids
• Effect of polydispersity on the relative stability of hard-sphere crystals
• Agent-based Social Psychology: from Neurocognitive Processes to Social Data
• Crossover from First to Second-Order Transition in Frustrated Ising Antiferromagnetic Films
• Evaluation of the grand-canonical partition function using Expanded Wang-Landau simulations. V. Impact of an electric field on the thermodynamic properties and ideality contours of water
• On the non-convergence of the Wang-Landau algorithms with multiple random walkers
• Density of states of a two dimensional XY model from Wang-Landau algorithm
• Optimized Broad-Histogram Ensembles for the Simulation of Quantum Systems
• Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to drawing complex phase diagrams
• Convex Hulls of Random Walks in Higher Dimensions: A Large Deviation Study
• Accelerated impurity solver for DMFT and its diagrammatic extensions
• Entropy of the diluted antiferromagnetic Ising models on the frustrated lattices using the Wang-Landau method
• From Network Reliability to the Ising Model: A Parallel Scheme for Estimating the Joint Density of States
• [N]pT Monte Carlo Simulations of the Cluster-Crystal-Forming Penetrable Sphere Model
• Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
• Exploiting a semi-analytic approach to study first order phase transitions
• Melting of MgO studied using a multicanonical ensemble method combined with a first-principles calculation
• Large peaks in the entropy of the diluted nearest-neighbor spin-ice model on the pyrochlore lattice in a [111] magnetic field
• Surface Phase Diagrams from Nested Sampling
• The Widom-Rowlinson mixture on a sphere: Elimination of exponential slowing down at first-order phase transitions
• Partition function zeros of the p-state clock model in the complex temperature plane
• Exploring new frontiers in statistical physics with a new, parallel Wang-Landau framework
• Wang-Landau study of the 3D Ising model with bond disorder
• Optimized broad-histogram simulations for strong first-order phase transitions: Droplet transitions in the large-Q Potts model
• Multicanonical Sampling of the Space of States of H(2,n)-Vector Models
• Critical behavior of the spin-$1/2$ Baxter-Wu model: Entropic sampling simulations
• Simulated Tempering and Magnetizing: An Application of Two-Dimensional Simulated Tempering to Two-Dimensional Ising Model and Its Crossover
• Accessing thermodynamics from dynamical cluster-embedding approaches
• Scaling Properties of Parallelized Multicanonical Simulations
• Tricriticality and finite-size scaling in the triangular Blume-Capel ferromagnet
• Yang-Lee Zeros of the Triangular Ising Antiferromagnets
• Density of states determined from Monte Carlo simulations
• Scaling and self-averaging in the three-dimensional random-field Ising model
• Dilution effect in correlated electron system with orbital degeneracy
• Computer simulation of two continuous spin models using Wang-Landau-Transition-Matrix Monte Carlo Algorithm
• Ferromagnetic Potts models with multisite interaction
• Universal features and tail analysis of the order-parameter distribution of the two-dimensional Ising model: An entropic sampling Monte Carlo study
• Phase transitions and thermodynamic properties of antiferromagnetic Ising model with next-nearest-neighbor interactions on the Kagome lattice
• Broad histogram relation for the bond number and its applications
• Analytical study of tunneling times in flat histogram Monte Carlo
• Thermodynamic properties and correlation functions of Ar films on the surface of a bundle of nanotubes
• An Efficient Simulation Protocol for Determining the Density of States: Combination of Replica-Exchange Wang-Landau Method and Multicanonical Replica-Exchange Method
• Monte Carlo study of the antiferromagnetic three-state Potts model with staggered polarization field on the square lattice
• Two phase transitions in the two-dimensional nematic 3-vector model with no quasi long-range order: Monte Carlo simulation of the density of states
• Lattice glass model in three spatial dimensions
• Structure and heat capacity of Ne and Xe adsorbed on a bundle of carbon nanotubes
• Re-orientation Transition in Molecular Thin Films: Potts Model with Dipolar Interaction
• A Monte Carlo Algorithm for Sampling Rare Events: Application to a Search for the Griffiths Singularity
• Monte Carlo simulation of joint density of states in one-dimensional Lebwohl-Lasher model using Wang-Landau algorithm
• Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space
• The Random-Bond Ising Model and its dual in Hyperbolic Spaces
• Universal cover-time distribution of heterogeneous random walks
• A new Wang-Landau approach to obtain phase diagrams for multicomponent alloys
• An entropic simulational study of the spin-$1$ Baxter-Wu model in a crystal field
• Criticality in the randomness-induced second-order phase transition of the triangular Ising antiferromagnet with nearest- and next-nearest-neighbor interactions
• The freezing phase transition in hard core lattice gases on triangular lattice with exclusion up to seventh next-nearest neighbor
• Intrinsic convergence properties of entropic sampling algorithms
• Magnetic Properties of (La0.56Ce0.14)Sr0.30MnO3 Perovskite
• The Wang-Landau algorithm reaches the flat histogram criterion in finite time
• Benchmark free energies and entropies for saturated and compressed water
• An Efficient Monte-Carlo Method for Calculating Free-Energy in Long-Range Interacting Systems
• Qualitative aspects of the phase diagram of J1-J2 model on the cubic lattice
• Multicanonical Sampling of Rare Trajectories in Chaotic Dynamical Systems
• Hard core lattice gas with third next-nearest neighbor exclusion on triangular lattice: one or two phase transitions?
• Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study
• Monte Carlo study of the critical properties of noncollinear Heisenberg magnets: $O(3)\times O(2)$ universality class
• Extending canonical Monte Carlo methods
• Convergence of Stochastic Approximation Monte Carlo and modified Wang-Landau algorithms: Tests for the Ising model
• Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm
• Thermodynamics of the Adsorption of Flexible Polymers on Nanowires
• Reexamination of the mean-field phase diagram of biaxial nematic liquid crystals: Insights from Monte Carlo studies
• Crossover scaling in the two-dimensional three-state Potts model
• Calculation of the Residual Entropy of Ice Ih by Monte Carlo simulation with the Combination of the Replica-Exchange Wang-Landau algorithm and Multicanonical Replica-Exchange Method
• Critical behavior of hard-core lattice gases: Wang-Landau sampling with adaptive windows
• Multiphase structure of finite-temperature phase diagram of the Blume-Capel model. Wang-Landau sampling method
• An Introduction to Monte Carlo Simulation of Statistical physics Problem
• Transitions of tethered chain molecules under tension
• Optimal schedules for annealing algorithms
• Blume-Capel model analysis with microcanonical population annealing method
• Impact of Friedel oscillations on vapor-liquid equilibria and supercritical properties in 2D and 3D
• The Wang-Landau Algorithm as Stochastic Optimization and Its Acceleration
• The three-dimensional Baxter-Wu Model
• Dynamic Canonical and Microcanonical Transition Matrix Analyses of Critical Behavior
• Accelerated rare event sampling
• Scaling and entropy in p-median facility location along a line
• Flat Energy-Histogram Simulation of the Phase Transition in an Ising Fully Frustrated Lattice
• The density of states of classical spin systems with continuous degrees of freedom
• Dynamically Optimized Wang-Landau Sampling with Adaptive Trial Moves and Modification Factors
• Perturbation method to calculate the density of states
• Emergence of a finite-size-scaling function in the supervised learning of the Ising phase transition
• Improving the efficiency of Monte Carlo simulations of systems that undergo temperature-driven phase transitions
• Dynamical large deviations of the fractional Ornstein-Uhlenbeck process
• Solid-solid transition of the size-polydisperse hard-sphere system
• Random-strain-induced correlations in materials with intertwined nematic and magnetic orders
• Detecting structured sources in noisy images via Minkowski maps
• Renormalized Multicanonical Sampling
• On properties of the Wang--Landau algorithm
• Discrete and Weyl density of states for photons and phonons
• Monte Carlo methods for estimating depletion potentials in highly size-asymmetrical hard sphere mixtures
• Entropy-Driven Microstructure Evolution Predicted with the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
• Extending canonical Monte Carlo methods II
• Random matrix ensembles: Wang-Landau algorithm for spectral densities
• Histogram-Free Multicanonical Monte Carlo Sampling to Calculate the Density of States
• Monte Carlo Studies of the Ising Antiferromagnet with a Ferromagnetic Mean-field Term
• Order-disorder transition in a two-dimensional associating lattice gas
• Extended canonical Monte Carlo methods: Improving accuracy of microcanonical calculations using a re-weighting technique
• Metastable states in the planar 2d XY model and dissipation in superfluid flow
• Magnetic Small World Nanomaterials: Physical Small World Networks
• Application of Simulated Tempering and Magnetizing to a Two-Dimensional Potts Model
• Metastability in Markov processes
• Entropic algorithms and the lid method as exploration tools for complex landscapes
• A Projected Entropy Controller for Transition Matrix Calculations
• Thermally activated particle motion in biased correlated Gaussian disorder potentials
• Solving the Master Equation for Extremely Long Time Scale Calculations
• Vertical-likelihood Monte Carlo
• Reducing autocorrelation time in determinant quantum Monte Carlo using Wang-Landau algorithm: application to Holstein model
• Elasticity of a polydisperse hard-sphere crystal
• Multicanonical simulation of the Domb-Joyce model and the Go model: new enumeration methods for self-avoiding walks
• A growth walk model for estimating the canonical partition function of Interacting Self Avoiding Walk
• Safe and adaptive importance sampling: a mixture approach
• Genus dependence of the number of (non-)orientable surface triangulations
• Flat histogram method comparison on 2D Ising Model
• Entropy as a function of magnetization for a 2D spin-ice model exhibiting a Kasteleyn transition
• Thoroughly analysis of the phase diagram for the Bell-Lavis model: An entropic simulational study
• Tricriticality in Crossed Ising Chains
• Reduced critical slowing down for statistical physics simulations
• Improving control based importance sampling strategies for metastable diffusions via adapted metadynamics
• ${\varphi }^4$ lattice model with cubic symmetry in three dimensions: RG-flow and first order phase transitions
• A New Monte Carlo Algorithm for Free Energy Calculation
• Comparison of the microcanonical population annealing algorithm with the Wang-Landau algorithm
• Density of states for systems with multiple order parameters: a constrained Wang-Landau method
• Accuracy and Efficiency of Simplified Tensor Network Codes
• Finding the Dominant Zero of the Energy Probability Distribution
• Incommensurate Short-Range Order in $S=1$ Triangular Lattice Ising Antiferromagnet
• Liquid crystal films on curved surfaces: An entropic sampling study
• Unimodular lattice triangulations as small-world and scale-free random graphs
• Wang-Landau study of lattice gases on geodesic grids
• A List Referring Monte Carlo Method for Lattice Glass Models
• Dynamical traps in Wang-Landau sampling of continuous systems: Mechanism and solution
• Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling
• Phenotype selection due to mutational robustness
• A Definition of Metastability for Markov Processes with Detailed Balance
• Residual Entropy of Ice: A Study Based on Transfer Matrices
• Large deviations of connected components in the stochastic block model
• Spin-$S$ Ising models with multispin interactions on the one-dimensional chain and two-dimensional square lattice
• Free Energy Methods for Bayesian Inference: Efficient Exploration of Univariate Gaussian Mixture Posteriors
• Changeover phenomenon in randomly colored Potts models
• New Methods for Calculating the Free Energy of Charged Defects in Solid Electrolytes
• Weight-Preserving Simulated Tempering
• Novel Monte Carlo algorithms and their applications
• Universality class of a displacive structural phase transition in two dimensions
• Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
• Confusion-driven machine learning of structural phases of a flexible, magnetic Stockmayer polymer
• Predicting Defect Stability and Annealing Kinetics in Two-Dimensional PtSe${}_2$ Using Steepest Entropy Ascent Quantum Thermodynamics
• Complex free energy landscapes in biaxial nematics and role of repulsive interactions : A Wang - Landau study
• Partial order in a frustrated Potts model
• Predicting Polymer Brush Behavior in Solvents using the Steepest-Entropy-Ascent Quantum Thermodynamic Framework
• Exploring the free energy gain of phase separation via Markov State Modeling
• Free energy and metastable states in the square-lattice $J_1$-$J_2$ Ising model
• The CrMES scheme as an alternative to Importance Sampling: The tail regime of the order-parameter distribution
• Jamming in Hierarchical Networks
• Spectral properties of unimodular lattice triangulations
• On the mixing time in the Wang-Landau algorithm
• Transition Matrix Cluster Algorithms
• Accelerating MCMC Algorithms
• Stochastic Approximation Monte Carlo with a Dynamic Update Factor
• Topological Transition to a Critical Phase in a Two-dimensional 3-Vector Model with non-Abelian Fundamental Group: A Simulational Study
• A splitting Hamiltonian Monte Carlo method for efficient sampling
• Free energy computations by minimization of Kullback-Leibler divergence: an efficient adaptive biasing potential method for sparse representations
• Configuration space partitioning in tilings of a bounded region of the plane
• Phase probabilities in first-order transitions using machine learning
• Quantum Annealing Algorithms for Estimating Ising Partition Functions
• Optimal parallelisation strategies for flat histogram Monte Carlo sampling
• Onset of stripe order in classical fluids: Lessons from lattice-gas mixtures
• Dissecting a Small Artificial Neural Network
• Wang-Landau simulation for the quasi-one-dimensional Ising model
• Rejection-free cluster Wang-Landau algorithm for hard-core lattice gases
• A histogram-free multicanonical Monte Carlo algorithm for the basis expansion of density of states
• Wang-Landau algorithm for entropic sampling of arch-based microstates in the volume ensemble of static granular packings
• Sampling in the multicanonical ensemble: Small He clusters in W
• Self-Healing Umbrella Sampling: Convergence and efficiency
• Rotational symmetry breaking potential for two-dimensional magnets
• Universality in the two-dimensional dilute Baxter-Wu model
• Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation
• How to calculate quantum quench distributions with a weighted Wang-Landau Monte Carlo
• RNA Secondary Structures: Complex Statics and Glassy Dynamics
• Phase Diagram of the Kitaev-type Model on a Decorated Honeycomb Lattice in the Isolated Dimer Limit
• Accelerating Multicanonical Sampling with Irreversibility
• Construction of a Neural Network with Temperature-Dependent Recall Patterns
• Minimal energy ensemble Monte Carlo for the partition function of fermions coupled to classical fields
• Tilings of a bounded region of the plane by maximal one-dimensional tiles
• Integrating Macrostate Probability Distributions with Swing Adsorption Modeling for Binary/Ternary Gas Separation
• Orientational ordering of water molecules confined in beryl: A theoretical study
• On the application of the Critical Minimum Energy Subspace method to disordered systems
• Possibility to detect the bound state of the Heisenberg ferromagnetic chain at intermediate temperature
• Thermodynamic properties of the finite-temperature electron gas by the fermionic path integral Monte Carlo method
• Enhanced Sampling Algorithms
• Efficient implementation of the Wang-Landau algorithm for systems with length-scalable potential energy functions
• A Superparamagnetic State Induced by a Spin Reorientation Transition in Ultrathin Magnetic Films
• Density of states and ground state magnetic ordering of the triangular lattice three-state Potts model
• Exploring the Potential of Parallel Biasing in Flat Histogram Methods
• Adaptive Metropolis-Hastings Sampling using Reversible Dependent Mixture Proposals
• On the nature of the phase transitions in two-dimensional type II superconductors
• Efficiency of the Wang-Landau algorithm: a simple test case