ASAP (Atomistic Simulation Advanced Platform) is a platform for materials modelling using ab initio methods.
ASAP is devoted to creation, steering and analysis of atomistic calculations. It includes powerful structure builder, several algorithmic workflows, local and remote calculations control, and comprehensive tools for results analysis.
New in ASAP 2023.0: Automated workflow for electronic Transport calculations with NEGF formalism using TranSIESTA:
ASAP’s features
Request a trial version of ASAP.
Structure builder
ASAP structure builder is a powerful instrument to construct, visualise and manipulate studied systems.
Workflows
ASAP workflows are designed to guide the user to perform complex tasks.
Request a trial version of ASAP.
Analysis tools and Features:
Electronics properties:
Thermodynamics properties:
Geometry evolution:
Chemical reactions:
Phonons and vibrations:
Molecular Dynamics (MD) algorithms:
Analysis of MD results as time series:
Electronic transport:
How to cite or acknowledge the use of ASAP?
If you are preparing an article using ASAP, please include the following acknowledgment in your manuscript:
“These studies were performed using some results obtained with the ASAP-XXXX.YY (Atomistic Simulation Advanced Platform), F. Marchesin, P. Koval,Y. Pouillon, I. Lebedeva, A. García, M. García-Mota, A. Kimmel “Atomistic Simulation Advanced Platform (ASAP) for materials modelling with ab initio methods”, Psi-k conference 2022, Lausanne (Switzerland), abstract book.”
Here XXXX.YY is the version number, for example, ASAP-2022.3.