Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics
Satoru Fukuhara, Kristof M. Bal, Erik C. Neyts, Yasushi Shibuta
Topics & Concepts
Molecular dynamicsAccelerationGrain boundaryDiffusionVariable (mathematics)Carbon fibersMaterials scienceScale (ratio)Statistical physicsPhysicsChemistryMicrostructureThermodynamicsComputational chemistryMathematicsClassical mechanicsMetallurgyComposite numberMathematical analysisComposite materialQuantum mechanicsProtein Structure and DynamicsMicrostructure and mechanical propertiesHigh-pressure geophysics and materials