AdResS

swMATH6336MaRDI QIDQ18464FDOQ18464

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Described by source

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

Cited In (23)

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

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