Stochastic theory of the classical molecular dynamics method

DOI10.1134/S2070048213040108zbMath1289.81021OpenAlexW2079072086MaRDI QIDQ2844539

Guenri E. Norman, Vladimir V. Stegailov

Publication date: 29 August 2013

Published in: Mathematical Models and Computer Simulations (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1134/s2070048213040108

zbMATH Keywords

molecular physicsmolecular structure (graph-theoretic methods, methods of differential topology)

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites Work

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• Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers
• Molecular modeling and simulation. An interdisciplinary guide
• Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study
• A numerical algorithm for Hamiltonian systems
• Limits of predictability
• Prediction and entropy of nonlinear dynamical systems and symbolic sequences with LRO
• 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
• Are Gauss-Legendre methods useful in molecular dynamics?
• Energy drift in molecular dynamics simulations
• Molecular dynamics and time reversibility
• Energy conservation with non-symplectic methods: examples and counter-examples
• A new look at the atomic level virial stress: on continuum-molecular system equivalence
• A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications
• Explicit Symplectic Integrators Using Hessian--Vector Products
• THEORY OF TRANSPORT PROCESSES AND THE METHOD OF THE NONEQUILIBRIUM STATISTICAL OPERATOR
• Geometric numerical integration illustrated by the Störmer–Verlet method
• GENERALIZED KINETIC AND EVOLUTION EQUATIONS IN THE APPROACH OF THE NONEQUILIBRIUM STATISTICAL OPERATOR
• Geometric integrators for multiple time-scale simulation
• TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY
• The Art of Molecular Dynamics Simulation

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