Publication:5369032
From MaRDI portal
zbMath1372.82005MaRDI QIDQ5369032
Michael P. Allen, Dominic J. Tildesley
Publication date: 11 October 2017
Monte Carlo methods (65C05) Research exposition (monographs, survey articles) pertaining to statistical mechanics (82-02) Statistical mechanics of liquids (82D15)
Related Items
Periodic boundary conditions for arbitrary deformations in molecular dynamics simulations, Methods for suspensions of passive and active filaments, Dynamic quasi-continuum model for plate-type nano-materials and analysis of fundamental frequency, Comparison of the compressible class of models and non-local models with the discrete element method for steady fully developed flow of cohesionless granular materials through a vertical channel, A conservative lubrication dynamics method for the simulation of dense non-colloidal suspensions with particle spin, Nonparametric inference for diffusion processes in systems with smooth evolution, Oscillating collective motion of active rotors in confinement, Coarse-grained modelling out of equilibrium, Dynamic phase transitions in freestanding polymer thin films, Theory and simulation of electrokinetic fluctuations in electrolyte solutions at the mesoscale, Mathematical methods of diagonalization of quadratic forms applied to the study of stability of thermodynamic systems, A novel quaternion integration approach for describing the behaviour of non-spherical particles, Accurate and robust splitting methods for the generalized Langevin equation with a positive prony series memory kernel, A molecular-continuum multiscale model for inviscid liquid-vapor flow with sharp interfaces, FIPI: a fast numerical method for the simulation of particle-laden fluid interfaces, Coupling rare event algorithms with data-based learned committor functions using the analogue Markov chain, Finite element method–discrete element method bridging coupling for the modeling of gouge, Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems, Extending the Regime of Linear Response with Synthetic Forcings, SHAKE and the exact constraint satisfaction of the dynamics of semi-rigid molecules in Cartesian coordinates, 1973--1977, Bulk viscosity of dilute monatomic gases revisited, mdapy: a flexible and efficient analysis software for molecular dynamics simulations, Comparison of the Helmholtz, Gibbs, and collective-modes methods to obtain nonaffine elastic constants, Generative methods for sampling transition paths in molecular dynamics, Stochastic modeling of transport coefficients of liquids, An implicit spin lattice dynamics integrator in LAMMPS, On the design of non-singular, energy-momentum consistent integrators for nonlinear dynamics using energy splitting and perturbation techniques, Singular relaxation of a random walk in a box with a Metropolis Monte Carlo dynamics, Objective molecular dynamics for atomistic simulation of macroscopic fluid motion, Mobility Estimation for Langevin Dynamics Using Control Variates, Moving-Mesh Finite-Volume Methods for Hyperbolic Interface Dynamics, Khovanskii bases for semimixed systems of polynomial equations -- approximating stationary nonlinear Newtonian dynamics, Fixing the flux: a dual approach to computing transport coefficients, Quantitative Coarse-Graining of Markov Chains, Implementations of replica-permutation and replica sub-permutation methods into LAMMPS, Coarse Graining of Nonreversible Stochastic Differential Equations: Quantitative Results and Connections to Averaging, Generation of amorphous silicon dioxide structures via melting-quenching density functional modeling, \textsc{waLBerla}: a block-structured high-performance framework for multiphysics simulations, A molecular dynamics study on the tensile characteristics of various metallic glass nanocomposites reinforced by Weyl semimetals three-dimensional graphene network, Ensemble average and nearest particle statistics in disperse multiphase flows, Modelling Particle Capture Efficiency with Lattice Boltzmann Method, Coupling molecular dynamics and direct simulation Monte Carlo using a general and high-performance code coupling library, Random Batch Algorithms for Quantum Monte Carlo Simulations, Co-simulations of Discrete and Finite Element Codes, Structural Transitions in Colloidal Suspensions, Computer Simulations of Soft Matter- and Nano-Systems, Disruption of turbulence due to particle loading in a dilute gas–particle suspension, On ergodicity for multidimensional harmonic oscillator systems with Nosé-Hoover-type thermostat, Transport properties of the classical Toda chain: effect of a pinning potential, Homogenization of transport properties of composites based on stochastic dynamics, Relaxation Runge-Kutta methods for Hamiltonian problems, Accurate and Efficient Splitting Methods for Dissipative Particle Dynamics, Stress from Long-Range Interactions in Particulate Systems, Nonequilibrium statistical mechanics of crystals, Computing Edge States without Hard Truncation, A minimalistic approach to physics-informed machine learning using neighbour lists as physics-optimized convolutions for inverse problems involving particle systems, Bayesian learning of effective chemical master equations in crowded intracellular conditions, Strong alignment of prolate ellipsoids in Taylor–Couette flow
Uses Software