Mean Field Approximation in Conformation Dynamics

DOI10.1137/080745262zbMath1214.82052arXiv0907.1844OpenAlexW2094902369MaRDI QIDQ3549910

Oliver Junge, Péter Koltai, Gero Friesecke

Publication date: 30 March 2010

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0907.1844

zbMATH Keywords

Molecular dynamicstransfer operatormean field approximationconformation dynamics

Mathematics Subject Classification ID

Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44) Atomic physics (81V45) Computational methods for ergodic theory (approximation of invariant measures, computation of Lyapunov exponents, entropy, etc.) (37M25) Numerical problems in dynamical systems (65P99)

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Pseudogenerators of Spatial Transfer Operators ⋮ Effective dynamics for a kinetic Monte-Carlo model with slow and fast time scales ⋮ Towards tensor-based methods for the numerical approximation of the Perron-Frobenius and Koopman operator ⋮ A Direction Preserving Discretization for Computing Phase-Space Densities

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