On multiscale non-equilibrium molecular dynamics simulations
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Cites work
- A bridging domain method for coupling continua with molecular dynamics
- A dynamic atomistic--continuum method for the simulation of crystalline materials
- A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble
- A multiscale cohesive zone model and simulations of fractures
- A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
- A non-equilibrium multiscale simulation of shock wave propagation
- A phonon heat bath approach for the atomistic and multiscale simulation of solids
- A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations
- A temperature equation for coupled atomistic/continuum simulations
- Coupling of atomistic and continuum simulations using a bridging scale decomposition.
- scientific article; zbMATH DE number 5345745 (Why is no real title available?)
- scientific article; zbMATH DE number 4033243 (Why is no real title available?)
- scientific article; zbMATH DE number 1338176 (Why is no real title available?)
- scientific article; zbMATH DE number 1120736 (Why is no real title available?)
- scientific article; zbMATH DE number 1487143 (Why is no real title available?)
- scientific article; zbMATH DE number 3999395 (Why is no real title available?)
- Master equation based formulation of nonequilibrium statistical mechanics
- Mixed-time implicit-explicit finite elements for transient analysis
- Molecular dynamics boundary conditions for regular crystal lattices
- Non-reflecting boundary conditions for atomistic, continuum and coupled atomistic/continuum simulations
- Statistical-Mechanical Theory of Transport in Fluids
Cited in
(20)- Multiple molecular dynamics time-scales in Hybrid Monte Carlo fermion simulations
- Comparison of several staggered atomistic-to-continuum concurrent coupling strategies
- A non-equilibrium multiscale simulation of shock wave propagation
- An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications
- A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method
- Tools for Multiscale Simulation of Liquids Using Open Molecular Dynamics
- Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations
- Modelling transient heat conduction at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach
- scientific article; zbMATH DE number 5979114 (Why is no real title available?)
- Nonequilibrium Molecular Dynamics
- Nonequilibrium Gas Dynamics and Molecular Simulation
- Atomistic long-term simulation of heat and mass transport
- scientific article; zbMATH DE number 5300124 (Why is no real title available?)
- Targeted Mollified Impulse: A Multiscale Stochastic Integrator for Long Molecular Dynamics Simulations
- A Multiscale Perturbation Expansion Approach for Markov State Modeling of Nonstationary Molecular Dynamics
- scientific article; zbMATH DE number 953089 (Why is no real title available?)
- Molecular Simulation in the Canonical Ensemble and Beyond
- Computational Science - ICCS 2004
- Multiscale modelling of thermally stressed superelastic polyimide
- Multiscale analysis for diffusion-driven neutrally stable states
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