Pages that link to "Item:Q5944553"
From MaRDI portal
The following pages link to Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers (Q5944553):
Displaying 18 items.
- A comparative study of fracture in Al: quantum mechanical vs. empirical atomistic description (Q361362) (← links)
- Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method (Q550990) (← links)
- A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations (Q710318) (← links)
- Multiscale modeling of polymers - the pseudo amorphous cell (Q839226) (← links)
- The reduced basis method in all-electron calculations with finite elements (Q904237) (← links)
- Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study (Q1025214) (← links)
- Adaptive QM/MM coupling for crystalline defects (Q1988149) (← links)
- Combined numerical simulation and nanoindentation for determining mechanical properties of single crystal copper at mesoscale (Q2456831) (← links)
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems (Q2696541) (← links)
- QM/MM methods for crystalline defects. I: Locality of the tight binding model (Q2806407) (← links)
- A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system (Q3586910) (← links)
- FEM and BEM parallel processing: theory and applications – a bibliography (1996‐2002) (Q4467364) (← links)
- (Q4737404) (← links)
- A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods (Q5005208) (← links)
- Thermomechanical continuum representation of atomistic deformation at arbitrary size scales (Q5428316) (← links)
- QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing (Q5737748) (← links)
- DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
- A posteriori error estimate and adaptivity for QM/MM models of crystalline defects (Q6566079) (← links)
