Scalable Atomistic Simulation Algorithms for Materials Research
A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorithms are presented for molecular dynamics (MD) simulations and quantum-mechanical (QM) calculations based on the density f...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2002-01-01
|
| Series: | Scientific Programming |
| Online Access: | http://dx.doi.org/10.1155/2002/203525 |