ASAP 2025.0 Release
This version introduces major new capabilities; support for SIESTA 5.2 and Quantum ESPRESSO 7.x
Webinar: Introducing JOCTA’s Capabilities for Polymers Modelling
🗓️ Date: Friday, January 31st, 2025. 🕥 Time: 09:30 - 10:15 AM CET You can now watch the recording on YouTube.
Workshop: Machine Learning with Computational Materials Science Data
SIMUNE participates in the Workshop on Machine Learning with Computational Materials Science Data at Fraunhofer IWM in Freiburg, Germany https://www.iwm.fraunhofer.de/en/about-us/events/workshop-machine-learning-with-computational-materials-science-data.html
ASAP 2024.1 Release
Key New Features: SIESTA 5.0 Support. PSML pseudopotentials New analysis tool: calculation of the work function k-resolved transmission: Enhanced transport analysis Enhanced DFT+U GUI Flexible Licensing: now supports offline and floating licenses [...]
Tire technology expo
SIMUNE participated at the Tire Technology 2024 exhibition https://www.tiretechnology-expo.com/en. Dr. Federico Marchesin presented to the tire community the potential of state-of-art ab-initio approaches. SIMUNE shared the botth with JSOL corporation, a company expert in [...]
ASAP 2024.0 Release
New in ASAP v.24.0: Enhancements on Quantum Espresso Calculator interface. Now compatible with NEB & Vibrations ASAP workflows and allowing the computation of charge systems. Improvements to the automated workflow for electronic Transport calculations [...]
Final AttoChem Workshop
Dr. Mónica García is attending as an invited speaker at the 5th AttoChem Workshop. Organized under the umbrella of the COST Action CA18222 (www.attochem.eu), it will take place at the University of La Laguna, [...]
ASAP Online documentation
ASAP documentation is now available online! In addition to the downloadable PDF from the ASAP software, you can now access it here: https://docs.simuneatomistics.com
Training in ASAP-UIT Solutions
8-10 January 2024. SIMUNE leads a three-day intensive training in ASAP (Atomistic Simulation Advanced Platform) for UIT Solutions team http://www.uitsolutions.com/eng/main/
New ASAP 23.3 release
SIMUNE team is delighted to announce the latest release of ASAP (Atomistic Simulation Advanced Platform), version 23.3. The comprehensive features of ASAP include a structure builder, diverse algorithmic workflows, control over local and remote jobs, [...]