ASAP (Atomistic Simulation Advanced Platform) is a platform for materials modelling using ab-initio methods.
ASAP consists in powerful structure builder, flexible workflows, local and remote calculations control, and a number modules to perform the outcome results analysis.
ASAP uses the SIESTA code (Spanish Initiative for Electronic Simulations with Thousands of Atoms) as a solver, deriving energies and forces from ab initio calculation. As the SIESTA code is based on the use localised basis set, this gives a strong advantage over plane wave codes such as:
- High performance in dealing with large systems (>1000 atoms).
- Excellent productivity for finite systems (slabs, interfaces, molecules).
- Improved Linear Scaling performance for open-gap systems.
- High flexibility to define the level of accuracy that allows a user to tune the required calculation time.