Multicanonical Ensemble: A New Approach to Simulate First-order Phase Transitions

Abstract

Relying on the recently proposed multicanonical algorithm, we present a numerical simulation of the first order phase transition in the 2d 10-state Potts model on lattices up to sizes $100\times 100$. It is demonstrated that the new algorithm $lacks$ an exponentially fast increase of the tunneling time between metastable states as a function of the linear size $L$ of the system. Instead, the tunneling time diverges approximately proportional to $L^{2.65}$. Thus the computational effort as counted per degree of freedom for generating an independent configuration in the unstable region of the model rises proportional to $V^{2.3}$, where $V$ is the volume of the system. On our largest lattice we gain more than two orders of magnitude as compared to a standard heat bath algorithm. As a first physical application we report a high precision computation of the interfacial tension.

Cited by in corpus (505)

• An efficient, multiple range random walk algorithm to calculate the density of states
• Exchange Monte Carlo Method and Application to Spin Glass Simulations
• Simulated Tempering: A New Monte Carlo Scheme
• Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram
• Multidimensional replica-exchange method for free-energy calculations
• Protein folding mediated by solvation: water expelling and formation of the hydrophobic core occurs after the structure collapse
• Critical point and coexistence curve properties of the Lennard-Jones fluid: A finite-size scaling study
• Enhanced sampling methods for molecular dynamics simulations
• Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3
• A New Approach to Spin Glass Simulations
• The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
• Elaborating Transition Interface Sampling Methods
• Feedback-optimized parallel tempering Monte Carlo
• Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape exploration
• Extended Ensemble Monte Carlo
• Fast Algorithm to Calculate Density of States
• On the Wang-Landau Method for Off-Lattice Simulations in the "Uniform" Ensemble
• Thermodynamic Properties of the Dipolar Spin Ice Model
• Evaluating the Surface Tension Using Grand Canonical Transition Matrix Monte Carlo and Finite-Size Scaling
• Phase behavior of a fluid with competing attractive and repulsive interactions
• Fast Monte Carlo algorithm for supercooled soft spheres
• Free energies of crystalline solids: a lattice-switch Monte Carlo method
• Phase transitions in biological systems with many components
• Review on novel methods for lattice gauge theories
• Transition Matrix Monte Carlo Method
• Stacking Entropy of Hard Sphere Crystals
• Self-consistent field theories for complex fluids
• Reconstructing the Density of States by History-Dependent Metadynamics
• Phase transitions in quantum chromodynamics
• Optimizing the ensemble for equilibration in broad-histogram Monte Carlo simulations
• Markov Chain Monte Carlo Method without Detailed Balance
• An improved Monte Carlo method for direct calculation of the density of states
• Approaches to the sign problem in lattice field theory
• Wang-Landau Algorithm: a Theoretical Analysis of the Saturation of the Error
• Multicanonical Chain Growth Algorithm
• Calculation of surface tension via area sampling
• Liquid-vapour phase behaviour of a symmetrical binary fluid mixture
• Monte Carlo simulation and global optimization without parameters
• Transition Matrix Monte Carlo Reweighting and Dynamics
• Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem
• Performance Limitations of Flat Histogram Methods and Optimality of Wang-Landau Sampling
• Freezing by Monte Carlo Phase-Switch
• Recent Developments of World-Line Monte Carlo Methods
• Studies of an Off-Lattice Model for Protein Folding: Sequence Dependence and Improved Sampling at Finite Temperature
• Metastable liquid-liquid coexistence and density anomalies in a core-softened fluid
• Accelerated weight histogram method for exploring free energy landscapes
• Microcanonical Analyses of Peptide Aggregation Processes
• Wang-Landau sampling for quantum systems: algorithms to overcome tunneling problems and calculate the free energy
• Multicanonical Study of Coarse-Grained Off-Lattice Models for Folding Heteropolymers
• Sampling along reaction coordinates with the Wang-Landau method
• Computer simulation of fluid phase transitions
• Three-Dimensional 3-State Potts Model Revisited With New Techniques
• Microcanonical entropy inflection points: Key to systematic understanding of transitions in finite systems
• Phase behaviour and thermodynamic anomalies of core-softened fluids
• Monte Carlo Update for Chain Molecules: Biased Gaussian Steps in Torsional Space
• Multibondic Cluster Algorithm for Monte Carlo Simulations of First-Order Phase Transitions
• Thermodynamics of Lattice Heteropolymers
• Replica-exchange molecular dynamics simulation for supercooled liquids
• Accurate Measurements of the Chemical Potential of Polymeric Systems by Monte-Carlo Simulation
• Sampling rare events: statistics of local sequence alignments
• Lattice-switch Monte Carlo
• Phase Transitions in Particle Physics -- Results and Perspectives from Lattice Quantum Chromo-Dynamics
• Parallel Excluded Volume Tempering for Polymer Melts
• Equilibrium fluid-solid coexistence of hard spheres
• 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
• Freezing line of the Lennard-Jones fluid: a Phase Switch Monte Carlo study
• Multi-Self-Overlap Ensemble for protein folding: ground state search and thermodynamics
• Critical behavior of the restricted primitive model revisited
• Multicanonical Simulations Step by Step
• Algorithmic aspects of multicanonical simulations
• Wetting and Capillary Condensation in Symmetric Polymer Blends: A comparison between Monte Carlo Simulations and Self-Consistent Field Calculations
• Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model
• Multicanonical Parallel Tempering
• Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations
• A General Algorithm for Sampling Rare Events in Non-Equilibrium and Non-Stationary Systems
• Invaded cluster algorithm for Potts models
• SU(N_c) gauge theories at deconfinement
• Directional Ordering of Fluctuations in a Two-dimensional Compass Model
• Solution of the Complex Action Problem in the Potts Model for Dense QCD
• Three-dimensional antiferromagnetic q-state Potts models: application of the Wang-Landau algorithm
• Constrained effective potential in hot QCD
• Topology in full QCD at high temperature: a multicanonical approach
• Performance potential for simulating spin models on GPU
• Orbital and magnetic transitions in geometrically-frustrated vanadium spinels -- Monte Carlo study of an effective spin-orbital-lattice coupled model --
• Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions
• First-order phase transition and tricritical scaling behavior of the Blume-Capel model: a Wang-Landau sampling approach
• Critical end point behaviour in a binary fluid mixture
• Critical Drying of Liquids
• Scaling Properties of a Parallel Implementation of the Multicanonical Algorithm
• Pathways to self-organization: crystallization via nucleation and growth
• Quantifying density fluctuations in water at a hydrophobic surface: evidence for critical drying
• Monte Carlo Simulations in Multibaric-Multithermal Ensemble
• Conjugate field and fluctuation-dissipation relation for the dynamic phase transition in the two-dimensional kinetic Ising model
• Optimal Modification Factor and Convergence of the Wang-Landau Algorithm
• Elastic Lennard-Jones Polymers Meet Clusters -- Differences and Similarities
• Wang-Landau Monte Carlo simulation of isotropic-nematic transition in liquid crystals
• The density of states approach to dense quantum systems
• Monte Carlo Calculation of the Surface Free Energy for the 2d 7-state Potts Model, and an Estimate for 4d SU(3) Gauge Theory
• First-order electroweak phase transitions: a nonperturbative update
• Generalized Ensemble Simulations for Complex Systems
• Microcanonical Approach to the Simulation of First-Order Phase Transitions
• Order-by-Disorder in the XY Pyrochlore Antiferromagnet Revisited
• Scaling and universality in the phase diagram of the 2D Blume-Capel model
• Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
• Surface effects in the crystallization process of elastic flexible polymers
• Crystallization of a polymer on a surface
• Thermodynamics of the BMN matrix model at strong coupling
• Liquid-vapour asymmetry in pure fluids: A Monte Carlo simulation study
• Estimation of critical behavior from the density of states in Classical Statistical Models
• Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles
• Simulation via Direct Computation of Partition Functions
• Residual Entropy of Ordinary Ice from Multicanonical Simulations
• Grundstate Properties of the 3D Ising Spin Glass
• Coexistence Curve Singularities at Critical End Points
• Replica-Exchange Method in van der Waals Radius Space: Overcoming Steric Restrictions for Biomolecules
• Phase equilibria and fractionation in a polydisperse fluid
• RNA/peptide binding driven by electrostatics -- Insight from bi-directional pulling simulations
• Monte Carlo Tests of Nucleation Concepts in the Lattice Gas Model
• Simulated-tempering approach to spin-glass simulations
• Direct calculation of interfacial tensions from computer simulation: Results for freely jointed tangent hard sphere chains
• Drying and Wetting Transitions of a Lennard-Jones Fluid: Simulations and Density Functional Theory
• Entropic sampling via Wang-Landau random walks in dominant energy subspaces
• A Determination of Interface Free Energies
• Observation of FSS for a First Order Phase Transition
• Knots as Topological Order Parameter For Semi-Flexible Polymers
• Generic folding and transition hierarchies for surface adsorption of hydrophobic-polar lattice model proteins
• Theory and simulation of multiphase coexistence in biomolecular mixtures
• A Method to Study Relaxation of Metastable Phases: Macroscopic Mean-Field Dynamics
• Interface localisation-delocalisation transition in a symmetric polymer blend: a finite-size scaling Monte Carlo study
• QCD at Zero Baryon Density and the Polyakov Loop Paradox
• Localised $\mathbf{Ad}{\mathbf{S}}_5\times {\mathbf{S}}^5$ Black Holes
• Combination of improved multibondic method and the Wang-Landau method
• Computing return times or return periods with rare event algorithms
• Systematic Microcanonical Analyses of Polymer Adsorption Transitions
• Multicanonical Cluster Algorithm and the 2-D 7-State Potts Model
• A Monte Carlo study of the three-dimensional Coulomb frustrated Ising ferromagnet
• Topological susceptibility of $N_f=2+1$ QCD from staggered fermions spectral projectors at high temperatures
• Distribution of diameters for Erdös-Rényi random graphs
• Advanced multicanonical Monte Carlo methods for efficient simulations of nucleation processes of polymers
• Topological critical slowing down: variations on a toy model
• Canonical local algorithms for spin systems: Heat Bath and Hasting's methods
• Multithermal-multibaric molecular simulations from a variational principle
• Real scalar phase transitions: a nonperturbative analysis
• Event-chain algorithm for the Heisenberg model: Evidence for $z\simeq 1$ dynamic scaling
• Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang-Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics
• On the 3d Ising Spin Glass
• Interface Tension of the Electroweak Phase Transition
• Phase Transition Properties of 3D Potts Models
• Multicanonical Study of the 3D Ising Spin Glass
• Statistical Mechanics of Aggregation and Crystallization for Semiflexible Polymers
• Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling
• 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
• Kertesz Line in the Three-Dimensional Compact U(1) Lattice Higgs Model
• Ferroelectric Phase Transitions from First Principles
• Parallel multicanonical study of the three-dimensional Blume-Capel model
• On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations
• Canonical free-energy barrier of particle and polymer cluster formation
• Improving the efficiency of extended ensemble simulations: The accelerated weight histogram method
• Improved grand canonical sampling of vapour-liquid transitions
• Dynamic off-equilibrium transition in systems slowly driven across thermal first-order phase transitions
• Four-dimensional pure compact U(1) gauge theory on a spherical lattice
• Error estimation and reduction with cross correlations
• The Confined-Deconfined Interface Tension in Quenched QCD using the Histogram Method
• Universality from disorder in the random-bond Blume-Capel model
• Two-State Folding, Folding through Intermediates, and Metastability in a Minimalistic Hydrophobic-Polar Model for Proteins
• Phase structure and monopoles in U(1) gauge theory
• Continuous demixing at liquid-vapor coexistence in a symmetrical binary fluid mixture
• Understanding population annealing Monte Carlo simulations
• Isotropic-nematic interfacial tension of hard and soft rods: application of advanced grand canonical biased sampling techniques
• Liquid-gas phase behaviour of an argon-like fluid modelled by the hard-core two-Yukawa potential
• Anatomy of the sign-problem in heavy-dense QCD
• Non-Standard Finite-Size Scaling at First-Order Phase Transitions
• One flavor QCD
• Structural Basis of Folding Cooperativity in Model Proteins: Insights from a Microcanonical Perspective
• Combine Umbrella Sampling with Integrated Tempering Method for Efficient and Accurate Calculation of Free Energy Changes of Complex Energy Surface
• Multicanonical sampling of rare events in random matrices
• Cross-correlations in scaling analyses of phase transitions
• Percolation of Vortices in the 3D Abelian Lattice Higgs Model
• Probing tails of energy distributions using importance-sampling in the disorder with a guiding function
• Eigenvalue analysis of an irreversible random walk with skew detailed balance conditions
• Transition Matrix Monte Carlo
• Modeling molecular and ionic absolute solvation free energies with quasi-chemical theory bounds
• Phase behaviour of a symmetrical binary fluid mixture
• Semi-Supervised Learning -- A Statistical Physics Approach
• Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm
• Accurate simulation estimates of cloud points of polydisperse fluids
• Finite-size scaling and particle size cutoff effects in phase separating polydisperse fluids
• Spin glass overlap barriers in three and four dimensions
• Flat histogram Monte Carlo method
• Conformational phase diagram for polymers adsorbed at ultrathin nanowires
• Chiral phase structure of three flavor QCD in a background magnetic field
• Cosmic D-strings as Axionic D-term Strings
• Multicanonical Multigrid Monte Carlo
• Multicanonical MCMC for Sampling Rare Events
• A Multicanonical Algorithm and the Surface Free Energy in SU(3) Pure Gauge Theory
• Searching for continuous phase transitions in 5D SU(2) lattice gauge theory
• Determining Surface Phase Diagrams Including Anharmonic Effects
• Quenched bond randomness in marginal and non-marginal Ising spin models in 2D
• Energy Probability Distribution Zeros: A Route to Study Phase Transitions
• Superposition Enhanced Nested Sampling
• Phase behaviour and particle-size cutoff effects in polydisperse fluids
• Compact U(1) Gauge Theory on Lattices with Trivial Homotopy Group
• Phase transition and dynamical-parameter method in U(1) gauge theory
• Tethered Monte Carlo: computing the effective potential without critical slowing down
• Aggregation of theta-polymers in spherical confinement
• Dynamics of the Wang-Landau algorithm and complexity of rare events for the three-dimensional bimodal Ising spin glass
• Identifying transitions in finite systems by means of partition function zeros and microcanonical inflection-point analysis: A comparison for elastic flexible polymers
• Global perspectives on the energy landscapes of liquids, supercooled liquids, and glassy systems: The potential energy landscape ensemble
• SU(3) lattice gauge theory with a mixed fundamental and adjoint plaquette action: Lattice artefacts
• Exploring different regimes in finite-size scaling of the droplet condensation-evaporation transition
• Efficient Irreversible Monte Carlo samplers
• Optimized ensemble Monte Carlo simulations of dense Lennard-Jones fluids
• Difference of energy density of states in the Wang-Landau algorithm
• Cluster dynamics for first-order phase transitions in the Potts model
• GPU accelerated Monte Carlo simulations of lattice spin models
• A polydisperse lattice-gas model
• Overcoming the critical slowing down of flat-histogram Monte Carlo simulations: Cluster updates and optimized broad-histogram ensembles
• Optimized energy calculation in lattice systems with long-range interactions
• Theoretical study of finite temperature spectroscopy in van der Waals clusters. I. Probing phase changes in CaAr_n
• Dynamics of Phase Transitions by Hysteresis Methods I
• Glauber dynamics of phase transitions: SU(3) lattice gauge theory
• Histogram analysis as a method for determining the line tension by Monte-Carlo simulations
• First-order transitions and thermodynamic properties in the 2D Blume-Capel model: the transfer-matrix method revisited
• Study of the Fully Frustrated Clock Model using the Wang-Landau Algorithm
• First-order transition features of the triangular Ising model with nearest- and next-nearest-neighbor antiferromagnetic interactions
• Off-equilibrium scaling behaviors across first-order transitions
• Liquid-gas coexistence and critical point shifts in size-disperse fluids
• Structural flexibility of intrinsically disordered proteins induces stepwise target recognition
• Appropriate reduction of the posterior distribution in fully Bayesian inversions
• Atomic quantum simulation of a three-dimensional U(1) gauge-Higgs model
• Universality aspects of the 2d random-bond Ising and 3d Blume-Capel models
• Thermodynamics of the classical spin-ice model with nearest neighbour interactions using the Wang-Landau algorithm
• Spin dependence of the tricritical point in the mixed-spin Blume-Capel model on three-dimensional lattices: Metropolis and Wang-Landau sampling approaches
• Fast Flat-Histogram Method for Generalized Spin Models
• Computer simulation of the phase diagram for a fluid confined in a fractal and disordered porous material
• Wang-Landau molecular dynamics technique to search for low-energy conformational space of proteins
• General approach for studying first-order phase transitions at low temperatures
• Disentangling the gravity dual of Yang-Mills theory
• Thickness-dependent secondary structure formation of tubelike polymers
• Rare-Event Sampling Analysis Uncovers the Fitness Landscape of the Genetic Code
• A surrogate accelerated multicanonical Monte Carlo method for uncertainty quantification
• Renormalization-group theory for cooling first-order phase transitions in Potts models
• Stochastic dynamics simulations in a new generalized ensemble
• Framework for non-perturbative analysis of a Z(3)-symmetric effective theory of finite temperature QCD
• Accelerating molecular dynamics simulations with population annealing
• Temperature-extended Jarzynski relation: Application to the numerical calculation of the surface tension
• Estimating thermodynamic expectations and free energies in expanded ensemble simulations: systematic variance reduction through conditioning
• Polymer Adsorption on Curved Surfaces
• Geometric Allocation Approaches in Markov Chain Monte Carlo
• Multicanonical distribution: Statistical equilibrium of multiscale systems
• Numerical calculation of the combinatorial entropy of partially ordered ice
• Evolution enhances mutational robustness and suppresses the emergence of a new phenotype: A new computational approach for studying evolution
• Introduction to Monte Carlo Methods
• Identification of Characteristic Protein Folding Channels in a Coarse-Grained Hydrophobic-Polar Peptide Model
• Estimating the Density of States of Frustrated Spin Systems
• Anomalous finite-size scaling at thermal first-order transitions in systems with disordered boundary conditions
• About the Functional Form of the Parisi Overlap Distribution for the Three-Dimensional Edwards-Anderson Ising Spin Glass
• First order phase transitions of spin systems
• Reexamination of the long-range Potts model: a multicanonical approach
• Controlling the folding and substrate-binding of proteins using polymer brushes
• 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
• Evaporation/condensation transition of the two dimensional Potts model in microcanonical ensemble
• A nonperturbative test of nucleation calculations for strong phase transitions
• Grand canonical simulation of phase behaviour in highly size-asymmetrical binary fluids
• Effect of polydispersity on the relative stability of hard-sphere crystals
• Wang-Landau/Multibondic Cluster Simulations for Second-Order Phase Transitions
• A density of states approach to the hexagonal Hubbard model at finite density
• Thermodynamics of tubelike flexible polymers
• Finite size scaling for a first order transition where a continuous symmetry is broken: The spin-flop transition in the 3D XXZ Heisenberg antiferromagnet
• Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
• Non-Perturbative U(1) Gauge Theory at Finite Temperature
• Normalized entropy density of the 3D 3-state Potts model
• [N]pT Monte Carlo Simulations of the Cluster-Crystal-Forming Penetrable Sphere Model
• Optimized Broad-Histogram Ensembles for the Simulation of Quantum Systems
• The Widom-Rowlinson mixture on a sphere: Elimination of exponential slowing down at first-order phase transitions
• Tethered Monte Carlo: Managing rugged free-energy landscapes with a Helmholtz-potential formalism
• A Numerical Transfer-Matrix Study of Surface-Tension Anisotropy in Ising Models on Square and Cubic Lattices
• Influence of Bonded Interactions on Structural Phases of Flexible Polymers
• Melting of MgO studied using a multicanonical ensemble method combined with a first-principles calculation
• Multicanonical analysis of the plaquette-only gonihedric Ising model and its dual
• Exploring first-order phase transitions with population annealing
• Simple flexible polymers in a spherical cage
• Simulated Tempering and Magnetizing: An Application of Two-Dimensional Simulated Tempering to Two-Dimensional Ising Model and Its Crossover
• Reentrant magnetic ordering and percolation in a spin-crossover system
• Scaling Properties of Parallelized Multicanonical Simulations
• A subset multicanonical Monte Carlo method for simulating rare failure events
• Tricriticality and finite-size scaling in the triangular Blume-Capel ferromagnet
• Microcanonical characterization of first-order phase transitions in a generalized model for aggregation
• Simulating flexible polymers in a potential of randomly distributed hard disks
• On the Use of Optimized Monte Carlo Methods for Studying Spin Glasses
• Optimized broad-histogram simulations for strong first-order phase transitions: Droplet transitions in the large-Q Potts model
• Obtaining pressure versus concentration phase diagrams in spin systems from Monte Carlo simulations
• Hierarchies in Nucleation Transitions
• Critical behavior of the spin-$1/2$ Baxter-Wu model: Entropic sampling simulations
• Correlation Function at ${\beta }_t$ in the Disordered Phase of 2D Potts Models
• Crosslinked biopolymer bundles: crosslink reversibility leads to cooperative binding/unbinding phenomena
• Counting Solutions for the N-queens and Latin Square Problems by Efficient Monte Carlo Simulations
• Parallelization of Markov chain generation and its application to the multicanonical method
• Static critical behavior of the $q-$states Potts model: High-resolution entropic study
• Evidence for the double degeneracy of the ground-state in the 3D $\pm J$ spin glass
• Universal features and tail analysis of the order-parameter distribution of the two-dimensional Ising model: An entropic sampling Monte Carlo study
• Density of states determined from Monte Carlo simulations
• Methods for calculating nonconcave entropies
• Stable intermediate phase of secondary structures for semiflexible polymers
• Multicanonical Hybrid Monte Carlo: Boosting Simulations of Compact QED
• Yang-Lee Zeros of the Triangular Ising Antiferromagnets
• Large Energy Cumulants in the 2D Potts Model and their Effects in Finite Size Analysis
• The Schwinger Model with Perfect Staggered Fermions
• Phonon contribution to the entropy of hard sphere crystals
• Equilibrium Microcanonical Annealing for First-Order Phase Transitions
• Phases and fractal structures of three-dimensional simplicial gravity
• An Efficient Simulation Protocol for Determining the Density of States: Combination of Replica-Exchange Wang-Landau Method and Multicanonical Replica-Exchange Method
• Programmable phase behavior in fluids with designable interactions
• Autocorrelation study of the Θ transition for a coarse-grained polymer model
• Broad Histogram Method for Continuous Systems: the XY-Model
• Lattice-switch Monte Carlo: the fcc-bcc problem
• [N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition
• Analytical study of tunneling times in flat histogram Monte Carlo
• Introduction to Multicanonical Monte Carlo Simulations
• Progress in Lattice Field Theory Algorithms
• Generalized-ensemble simulations of spin systems and protein systems
• A Monte Carlo Algorithm for Sampling Rare Events: Application to a Search for the Griffiths Singularity
• Broad histogram relation for the bond number and its applications
• Monte Carlo study of the antiferromagnetic three-state Potts model with staggered polarization field on the square lattice
• Classical and Quantum Annealing in the Median of Three Satisfiability
• Frustrated mixed spin-1/2 and spin-1 Ising ferrimagnets on a triangular lattice
• High-statistics finite size scaling analysis of U(1) lattice gauge theory with Wilson action
• Multicanonical Sampling of Rare Trajectories in Chaotic Dynamical Systems
• Energy localization and excess fluctuations from long-range interactions in equilibrium molecular dynamics
• Random-cluster multi-histogram sampling for the q-state Potts model
• Generalized-ensemble simulations and cluster algorithms
• Breakout character of islet amyloid polypeptide hydrophobic mutations at the onset of type-2 diabetes
• Phase and vacancy behaviour of hard "slanted" cubes
• Phase transition of triangulated spherical surfaces with elastic skeletons
• An Efficient Monte-Carlo Method for Calculating Free-Energy in Long-Range Interacting Systems
• Convergence of Stochastic Approximation Monte Carlo and modified Wang-Landau algorithms: Tests for the Ising model
• Extending canonical Monte Carlo methods
• 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
• Transmogrifying Fuzzy Vortices
• Liquid-liquid coexistence in the phase diagram of a fluid confined in fractal porous materials
• The Rubber Band Revisited: Wang-Landau Simulation
• Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm
• Monteswitch: A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo
• Temperature measurement from perturbations
• Direct coupling of first-principles calculations with replica exchange Monte Carlo sampling of ion disorder in solids
• Thermodynamics of the Adsorption of Flexible Polymers on Nanowires
• Crossover scaling in the two-dimensional three-state Potts model
• Structural Arrangements of Polymers Adsorbed at Nanostrings
• A Multicanonical Molecular Dynamics Study on a Simple Bead-Spring Model for Protein Folding
• Evolution of Genetic Redundancy : The Relevance of Complexity in Genotype-Phenotype Mapping
• Finite-Size analysis of the 4-d abelian surface gauge model
• Finite-Size Scaling at Phase Coexistence
• Application of the parallel multicanonical method to lattice gas condensation
• Accelerated rare event sampling
• Parallel Tempered Metadynamics: Overcoming potential barriers without surfing or tunneling
• An efficient algorithm for numerical computations of continuous densities of states
• Two-dimensional dilute Baxter-Wu model: Transition order and universality
• Multibondic Cluster Algorithm
• The phase diagram for the bisected-hexagonal-lattice five-state Potts antiferromagnet
• A brief history of the introduction of generalized ensembles to Markov chain Monte Carlo simulations
• Dynamic Canonical and Microcanonical Transition Matrix Analyses of Critical Behavior
• Shape-free theory for the self-assembly kinetics in macromolecular systems
• The topological properties of QCD at high temperature: problems and perspectives
• Wetting transitions in polydisperse fluids
• Phase transition of compartmentalized surface models
• Freezing and folding behavior in simple off-lattice heteropolymers
• Adsorption of finite polymers in different thermodynamic ensembles
• Finite-size scaling of Monte Carlo simulations for the fcc Ising antiferromagnet: Effects of the low-temperature phase degeneracy
• Spin-glass dynamics: experiment, theory and simulation
• Transmuted finite-size scaling at first-order phase transitions
• Thermal critical behavior and universality aspects of the three-dimensional random-field Ising model
• The Interface Tension in Quenched QCD at the Critical Temperature
• Temperature and density extrapolations in canonical ensemble Monte Carlo simulations
• Improving the efficiency of Monte Carlo simulations of systems that undergo temperature-driven phase transitions
• Planar ordering in the plaquette-only gonihedric Ising model
• Adsorption of polymers at nanowires
• On properties of the Wang--Landau algorithm
• Determining efficient temperature sets for the simulated tempering method
• Structural Properties of Small Semiconductor-Binding Synthetic Peptides
• Nonextensive lattice gauge theories: algorithms and methods
• Dynamics of the 2d Potts model phase transition
• Phase behaviour of a symmetrical binary fluid mixture in a field
• Solid-solid transition of the size-polydisperse hard-sphere system
• Renormalized Multicanonical Sampling
• Nature of Phase Transitions in a Generalized Complex |psi|^4 Model
• Designed-walk replica-exchange method for simulations of complex systems
• Multicanonical Simulations of the Tails of the Order-Parameter Distribution of the Two-Dimensional Ising Model
• Distribution of metastable states of Ising spin glasses
• A comparison of extremal optimization with flat-histogram dynamics for finding spin-glass ground states
• Optimized Monte Carlo Methods
• Multicanonical simulations of the 2D spin-$1$ Baxter-Wu model in a crystal field
• Confined-deconfined interface tension and latent heat in SU(N) gauge theory
• Phase Diagram of Flexible Polymers with Quenched Disordered Charged Monomers
• Histogram-Free Multicanonical Monte Carlo Sampling to Calculate the Density of States
• A Projected Entropy Controller for Transition Matrix Calculations
• Dynamic Greedy Algorithms for the Edwards-Anderson Model
• Extended canonical Monte Carlo methods: Improving accuracy of microcanonical calculations using a re-weighting technique
• Phase diagram of the 4D U(1) model at finite temperature
• Application of Simulated Tempering and Magnetizing to a Two-Dimensional Potts Model
• Extending canonical Monte Carlo methods II
• Discussion of "Equi-energy sampler" by Kou, Zhou and Wong
• Ground-state properties of tubelike flexible polymers
• Activated sampling in complex materials at finite temperature: the properly-obeying-probability activation-relaxation technique
• Phase transition of two-dimensional generalized XY model
• Quantum response to time-dependent external fields
• Applying the Wang-Landau Algorithm to Lattice Gauge Theory
• Combination of genetic crossover and replica-exchange method for conformational search of protein systems
• New Algorithm to Investigate Neural Networks
• Flat histogram method comparison on 2D Ising Model
• Numerical Aspects of Large Deviations
• The self-organized multi-lattice Monte Carlo simulation
• Wang-Landau simulations with non-flat distributions
• Influence of lattice disorder on the structure of persistent polymer chains
• Monte Carlo Simulation of Long Hard-Sphere Polymer Chains in Two to Five Dimensions
• ${\varphi }^4$ lattice model with cubic symmetry in three dimensions: RG-flow and first order phase transitions
• A Cluster Controller for Transition Matrix Calculations
• Application of exchange Monte Carlo method to ordering dynamics
• Multicanonical simulation of the Domb-Joyce model and the Go model: new enumeration methods for self-avoiding walks
• Split Sampling: Expectations, Normalisation and Rare Events
• Nonflat Histogram Techniques for Spin Glasses
• Reducing autocorrelation time in determinant quantum Monte Carlo using Wang-Landau algorithm: application to Holstein model
• What thermodynamic features characterize good and bad folders? Results from a simplified off-lattice protein model
• Irreversible swap algorithms for soft sphere glasses
• Diversity in Free Energy Landscape of Proteins with the Same Native Topology
• Thermodynamics of two lattice ice models in three dimensions
• Elasticity of a polydisperse hard-sphere crystal
• Thermodynamics of aggregation of two proteins
• Geometric Allocation Approach for Transition Kernel of Markov Chain
• A List Referring Monte Carlo Method for Lattice Glass Models
• Equivalence between microcanonical methods for lattice models
• Extension of the constant exchange probability method to multi-dimensional replica exchange Monte Carlo applied to the tri-critical spin-1 Blume-Capel model
• Accuracy and Efficiency of Simplified Tensor Network Codes
• Dynamical traps in Wang-Landau sampling of continuous systems: Mechanism and solution
• Patchwork Sampling of Stochastic Differential Equations
• Spin and Gauge Systems on Spherical Lattices
• Effect of grafting on the binding transition of two flexible polymers
• Phase glass and zero-temperature phase transition in a randomly frustrated two-dimensional quantum rotor model
• Vacuum Decay and Euclidean Lattice Monte Carlo
• Scanning the critical fluctuations -- application to the phenomenology of the two-dimensional XY-model --
• Connecting the Unstable Region of the Entropy to the Pattern of the Fisher's Zeros Map
• Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling
• Phenotype selection due to mutational robustness
• Equilibrium Times for the Multicanonical Method
• Numerical test of finite-size scaling predictions for the droplet condensation-evaporation transition
• Spin-$S$ Ising models with multispin interactions on the one-dimensional chain and two-dimensional square lattice
• Flow-based Nonperturbative Simulation of First-order Phase Transitions
• Finite-size scaling of Lennard-Jones droplet formation at fixed density
• Binary tree summation Monte Carlo simulation for Potts models
• The CrMES scheme as an alternative to Importance Sampling: The tail regime of the order-parameter distribution
• Multicanonical Cluster Algorithm
• Multicanonical molecular dynamics by variable-temperature thermostats and variable-pressure barostats
• New Methods for Calculating the Free Energy of Charged Defects in Solid Electrolytes
• Measuring free energy in parallel tempering Monte Carlo
• Efficient sampling using Macrocanonical Monte Carlo and density of states mapping
• Nonequilibrium-relaxation approach to quantum phase transitions: Nontrivial critical relaxation in cluster-update quantum Monte Carlo
• Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition
• Novel Monte Carlo algorithms and their applications
• Efficient equilibrium sampling of all-atom peptides using library-based Monte Carlo
• From particle condensation to polymer aggregation
• Wang-Landau simulation for the quasi-one-dimensional Ising model
• Extending fragment-based free energy calculations with library Monte Carlo simulation: Annealing in interaction space
• Optimisation via Slice Sampling
• A numerical method for determining the interface free energy
• Computing Chemical Potential using the Phase Space Multi-histogram Method
• Confinement in the Deconfined Phase: A numerical study with a cluster algorithm
• Computing quantum phase transitions
• Wang-Landau algorithm for entropic sampling of arch-based microstates in the volume ensemble of static granular packings
• The Hybrid Monte Carlo Algorithm for Quantum Chromodynamics
• Cooperative "folding transition" in the sequence space facilitates function-driven evolution of protein families
• The application of Monte Carlo methods for learning generalized linear model
• Transition Matrix Cluster Algorithms
• The Droplet Formation-Dissolution Transition in Different Ensembles: Finite-Size Scaling from Two Perspectives
• Equi-Energy sampling does not converge rapidly on the mean-field Potts model with three colors close to the critical temperature
• Stochastic Approximation Monte Carlo with a Dynamic Update Factor
• Reconstruction of a first-order phase transition from computer simulations of individual phases and subphases
• Simulated tempering with irreversible Gibbs sampling techniques
• Sampling in the multicanonical ensemble: Small He clusters in W
• Quasi-exact ground-state algorithm for the random-field Potts model
• 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
• Dissecting a Small Artificial Neural Network
• Stochastic dynamics without detailed balance condition connecting simple gradient method and Hamiltonian Monte Carlo
• 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
• An adaptive Metropolis-Hastings scheme: sampling and optimization
• Accelerating Multicanonical Sampling with Irreversibility
• Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation
• Enhanced Sampling Algorithms
• Universality in the two-dimensional dilute Baxter-Wu model
• Entropic effects in large-scale Monte Carlo simulations
• Non-Boltzmann Ensembles and Monte Carlo Simulation
• Projected single-spin flip dynamics in the Ising Model
• Finite Size Analysis of the U(1) Phase Transition using the World-sheet Formulation
• On thermodynamic stability and ensemble equivalence at phase coexistence
• Almost sure convergence of the accelerated weight histogram algorithm
• Two-size Probability-Changing Cluster Algorithm
• Statistical mechanical models of integer factorization problem
• On the application of the Critical Minimum Energy Subspace method to disordered systems
• Minimal energy ensemble Monte Carlo for the partition function of fermions coupled to classical fields
• Construction of a Neural Network with Temperature-Dependent Recall Patterns
• Lattice study of the critical bubble in $\mathrm{SU}(8)$ deconfinement transition