Stochastic theory of the classical molecular dynamics method
From MaRDI portal
Dynamical and stochastic properties of molecular dynamic systems connected with a local instability of trajectories and errors of numerical integration methods are analyzed. A nature of probabilistic character of the classical statistics is discussed. A concept explaining the finite time of the dinamical memory and a nonreversibility origin in real systems
Recommendations
- scientific article; zbMATH DE number 2088298
- Molecular dynamics. With deterministic and stochastic numerical methods
- Comparing the efficiencies of stochastic isothermal molecular dynamics methods
- Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers
- What makes molecular dynamics work?
Cites work
- A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications
- A new look at the atomic level virial stress: on continuum-molecular system equivalence
- A numerical algorithm for Hamiltonian systems
- Are Gauss-Legendre methods useful in molecular dynamics?
- Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study
- Energy conservation with non-symplectic methods: examples and counter-examples
- Energy drift in molecular dynamics simulations
- Explicit Symplectic Integrators Using Hessian--Vector Products
- GENERALIZED KINETIC AND EVOLUTION EQUATIONS IN THE APPROACH OF THE NONEQUILIBRIUM STATISTICAL OPERATOR
- Geometric integrators for multiple time-scale simulation
- Geometric numerical integration illustrated by the Störmer–Verlet method
- scientific article; zbMATH DE number 3793289 (Why is no real title available?)
- scientific article; zbMATH DE number 46777 (Why is no real title available?)
- scientific article; zbMATH DE number 1346450 (Why is no real title available?)
- scientific article; zbMATH DE number 1736203 (Why is no real title available?)
- scientific article; zbMATH DE number 1082719 (Why is no real title available?)
- scientific article; zbMATH DE number 1508560 (Why is no real title available?)
- scientific article; zbMATH DE number 3997348 (Why is no real title available?)
- scientific article; zbMATH DE number 862999 (Why is no real title available?)
- Limits of predictability
- Molecular dynamics and time reversibility
- Molecular modeling and simulation. An interdisciplinary guide
- Prediction and entropy of nonlinear dynamical systems and symbolic sequences with LRO
- Statistical mechanics: theory and molecular simulation.
- Statistical theory of open systems. Vol. 1. A unified approach to kinetic description of processes in active systems. Transl. from the manuscript by A. Dobroslavsky
- Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers
- The Art of Molecular Dynamics Simulation
- The Krylov-Kolmogorov entropy of a disordered Lennard-Jones systems
- THEORY OF TRANSPORT PROCESSES AND THE METHOD OF THE NONEQUILIBRIUM STATISTICAL OPERATOR
- TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY
Cited in
(24)- On the mathematical justification of experimental and computer physics
- Ideal gas/liquid transition as a generalization of the problem of ``partitio numerorum
- Modeling uncertainties in molecular dynamics simulations using a stochastic reduced-order basis
- Atomistic modeling of metal nanocluster motion caused by gas flow impact
- The theory of direct particle interaction and a stationary cosmological model
- A gentle stochastic thermostat for molecular dynamics
- On the anisotropy of gas-transfer processes in nanochannels and microchannels
- Classification of explicit three-stage symplectic difference schemes for the numerical solution of natural Hamiltonian systems: a comparative study of the accuracy of high-order schemes on molecular dynamics problems
- Planar discrete birth-growth Poisson-Voronoi tessellations with the von Neumann neighbourhood
- What makes molecular dynamics work?
- Dynamical density functional theory for interacting Brownian particles: stochastic or deterministic?
- Stochastic Cluster Dynamics of Macromolecules
- Molecular dynamic calculation of technical gases macroparameters on example of argon, nitrogen, hydrogen and methane
- An algorithm for calculating the movements of diatomic gases molecules
- Mechanical characteristics of molecular dynamics model and Korobov polynomials
- Thermodynamic limit in statistical physics
- Some remarks on sampling methods in Molecular Dynamics
- Stochastic modeling of transport coefficients of liquids
- Collective motions of atoms in crystals;Коллективные движения атомов в кристаллах
- Domain-decomposition parallelization for molecular dynamics algorithm with short-ranged potentials on Epiphany architecture
- High performance computing in multiscale problems of gas dynamics
- A rapidly converging method for solving the Euler equation
- Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers
- Method of molecular dynamics in mechanics of deformable solids
This page was built for publication: Stochastic theory of the classical molecular dynamics method
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2844539)
