Parallel Quantum Mechanical Tools
Parallel Quantum Methods: Background
QM Methods
The Science
QM Purvue
The Problems
Methods vs Size
Methods vs CPU
Empirical vs Quantum
Solving the Equation
PES
Parallel Quantum Methods: Strategies
GAMESS and MOPAC references
Algorithm
Algorithm code
Diagonalization
Supported Platforms
MOPAC Task Distribution
MOPAC Algorithm
Parallel Quantum Methods: Some Results
Combined Results
Results: Platforms
Results: Efficiency
Application: BuckyBowls
Results: CPU Time for BuckyBowls