SIMUNE team is delighted to announce the latest release of ASAP, version 24.0.

ASAP, which stands for Atomistic Simulation Advanced Platform, is a versatile platform designed for creating atomistic models and efficiently steering and analysing results from ab-initio calculations. The comprehensive features of ASAP include a structure builder, diverse algorithmic workflows, control over local and remote jobs, and a suite of advanced analysis tools.

Visit our youtube channel to see ASAP demos:
https://www.youtube.com/@simuneatomistics6478

Request a free trial version of ASAP:
https://www.simuneatomistics.com/asap/

With the new release of ASAP v24.0 we are inviting highly motivated users to join our “Advanced Use Cases” program. This unique opportunity offers extensive support for showcasing your advanced simulations and in our upcoming events (workshops and tradeshows). Selected users will be featured in the advanced use cases section of our homepage and will receive free extensions for licences of ASAP PRO and ASAP Transiesta.

If you want to experience atomistic structure simulation with ASAP and you have a simulation challenge worth sharing, reach out to us via email ([email protected]) with your proposal, and we'll consider it for inclusion.

New in ASAP v.24.0:

• Online documentation. Visit https://docs.simuneatomistics.com/ for detailed information on the software features
• ASAP workflows and allowing the computation of charge systems
• Improvements to the automated workflow for electronic Transport calculations with NEGF formalism using TranSIESTA. New features include the ability to import FDF files from TranSIESTA calculations and export data from analysis plots.
• New Functionality: Automated workflow for computation and analysis of Fermi Surface
• Enhancement in LDOS workflow: Iso-surfaces of the Local Density of States can be plotted for the sum of the spin-up and spin-down densities

ASAP’s features:

• Cross Platform performance: ASAP can operate on Linux, Mac, Windows operating systems.
• Ready to use: ASAP is supplied as a ready-to-use package.
• Extended Library of pseudopotentials and basis sets.
• Interactive GUI: atomistic model constructions, data visualization, analysis of results.
• Local and remote control run with an unlimited number of clusters and jobs.
• Remote jobs monitor.
• Automated Convergence tools (BZ sampling, mesh cutoff).
• Powerful solvers: EMT, SIESTA, TranSIESTA.
• Single Point, Geometry Optimisation, NEB, MD.
• Phonons and vibrations. Optical response.
• Electronic Transport calculations.
• Batch jobs
• Analysis tools: a wide range of electronic properties (DOS, PDOS, band structure…) and thermodynamic properties (Equation of State, Bulk modulus…)

Best wishes,

SIMUNE team.