The following pages link to Rajiv K. Kalia (Q205526):
Displaying 13 items.
- Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory (Q709701) (← links)
- A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations (Q710318) (← links)
- Large nonadiabatic quantum molecular dynamics simulations on parallel computers (Q743328) (← links)
- Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study (Q1025214) (← links)
- Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials (Q1578155) (← links)
- Scalable I/O of large-scale molecular dynamics simulations: A data-compression algorithm (Q1587747) (← links)
- A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics (Q1739137) (← links)
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- Scalable multiresolution algorithms for classical and quantum molecular dynamics simulations of nanosystems (Q4664501) (← links)
- Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers (Q5944553) (← links)
- Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms (Q5953491) (← links)
- Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations (Q6488615) (← links)
