2 search results - page 1 / 1 » Atomic wavefunction initialization in ab initio |
PC
2008
13 years 4 months ago
2008
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...
ICPPW
2006
IEEE
13 years 10 months ago
2006
IEEE
Applications augmented with adaptive capabilities are becoming common in parallel computing environments which share resources such as main memory, network, or disk I/O. For large...