SIMUNE team is delighted to announce the latest release of ASAP, version 23.3. 

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.

New in ASAP v.23.3: 

• Quantum Espresso Calculator interface. A new calculator is introduced, seamlessly interfacing with Quantum Espresso. This facilitates users to prepare inputs, submit jobs, and analyze Quantum Espresso calculations directly within ASAP
• Enhancements on SIESTA calculator. Significant improvements have been made to the SIESTA calculator, now allowing the application of Hubbard correction (DFT+U) and the computation of charge systems.
• The automated workflow for electronic Transport calculations with NEGF formalism using TranSIESTA has been substantially improved. New features include spin-resolved plots for current, transmission, and transport DOS, computation of zero-bias conductance, and visualization of Transmission eigenvalues.
• Graphene Nanoribbon Builder Integration. ASAP v23.3 now integrates a new builder specifically designed for creating graphene nanoribbons.

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

Request a free trial version of ASAP: 

https://www.simuneatomistics.com/asap/  

Visit our youtube channel to see ASAP demos:

https://www.youtube.com/@simuneatomistics6478