We are happy to announce a new release of ASAP v23.0. 

ASAP,  Atomistic Simulation Advanced Platform, is a platform for creating atomistic models, steering and analysing results of ab-initio calculations. ASAP includes structure builder, various algorithmic workflows, local and remote jobs control, and comprehensive analysis tools.

New in ASAP v.23.0: 

• Automated workflow for electronic Transport calculations with NEGF formalism using TranSIESTA: device builder and visualiser, geometry relaxation, Bloch expansion of the electrodes, full control of integration contours, transport post-processing restart, charge correction.
• Powerful remote tasks control widget. Password-based authentication for remote connections with Paramiko.
• Extended analysis for Molecular dynamics (MSD, RMSD, diffusion coefficient auto-correlation functions)
• Visualization of density iso-surfaces. 

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 with all necessary libraries and solvers supplied.
• Interactive GUI: Widgets for visualization, analysis of results.
• Local and remote control run
• 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
• Fitting interaction potentials with analytic functions

Request a trial version of ASAP at https://www.simuneatomistics.com/services/asap-software/ 

Please visit our YouTube channel:

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

Best wishes,

SIMUNE team