AdResS

swMATH6336MaRDI QIDQ18464

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Described by source

• A reference implementation of the adaptive resolution scheme in \texttt{ESPResSo}

Related Items (23)

Tools for Multiscale Simulation of Liquids Using Open Molecular Dynamics ⋮ Derivation of Liouville-like equations for the n-state probability density of an open system with thermalized particle reservoirs and its link to molecular simulation ⋮ Discovery of slow variables in a class of multiscale stochastic systems via neural networks ⋮ Coarse-grained modelling out of equilibrium ⋮ Active learning of constitutive relation from mesoscopic dynamics for macroscopic modeling of non-Newtonian flows ⋮ Multiscale universal interface: a concurrent framework for coupling heterogeneous solvers ⋮ Molecular systems with open boundaries: theory and simulation ⋮ Multiscale simulation of water flow past a \(C_{540}\) fullerene ⋮ Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers ⋮ Dissipative Particle Dynamics: Foundation, Evolution, Implementation, and Applications ⋮ Study of micro-macro acceleration schemes for linear slow-fast stochastic differential equations with additive noise ⋮ Studying amphiphilic self-assembly with soft coarse-grained models ⋮ Statistical physics problems in adaptive resolution computer simulations of complex fluids ⋮ Liouville-type equations for the n-particle distribution functions of an open system ⋮ An Adaptive Multiscale Approach for Electronic Structure Methods ⋮ The Fluid Mechanics of Cancer and Its Therapy ⋮ Analytical and Computational Studies of Correlations of Hydrodynamic Fluctuations in Shear Flow ⋮ Consistent model reduction of polymer chains in solution in dissipative particle dynamics: model description ⋮ Coarse-graining schemes for stochastic lattice systems with short and long-range interactions ⋮ Adaptive Thermostats for Noisy Gradient Systems ⋮ Solving the equations of motion for mixed atomistic and coarse-grained systems ⋮ ESPResSo 3.1: Molecular Dynamics Software for Coarse-Grained Models ⋮ Two-sided Bogoliubov inequality to estimate finite size effects in quantum molecular simulations

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