Simune Atomistics S.L.
@SimuneAtomistic
Followers
394
Following
1K
Media
147
Statuses
581
Software & consulting offering atomistic simulations and training to industry and academia. Expertise in SIESTA and Abinit among many others.
Donostia - San Sebastián
Joined February 2015
Science is global, but we know speaking your language makes collaboration easier. SIMUNE offers now a website in multiple languages and multilingual support!.#Science #Multilingual.
simuneatomistics.com
0
0
0
📢 New paper using J-OCTA applies Materials Informatics to polymers!.DPD simulations + persistent homology were used to extract features and predict proton conductivity in membranes like Nafion, Aquivion & Flemion. 🔗 #Polymers #ML #FuelCells #DPD.
0
0
0
Did you know SIMUNE offers the SIESTA Toolkit to the community?.It includes binaries, basis sets, pseudopotentials & tutorials to support your simulations with SIESTA & TranSIESTA. 🔗 #DFT #QuantumSimulations #SIESTADFT #MaterialsScience.
simuneatomistics.com
0
1
1
📢 New publication!. Pablo Ordejón, member of SIMUNE’s Board of Experts, co-authored a paper on how AI is transforming materials science — from energy storage to trillion-atom simulations with near ab initio accuracy. .#AI #MaterialsScience #Research.
0
0
0
🔧 Looking to simulate nanoscale wear or friction? Try it with J-OCTA. In this new case study, it is shown a demonstrative simulation of abrasive wear at the nanometer scale.
0
1
1
Are you a Quantum ESPRESSO user looking for a Graphical User Interface to enhance your workflow? Try ASAP!. #QuantumESPRESSO #ASAPv2025 #ResearchTools.
simuneatomistics.com
ASAP is the new simulation platform that makes the complex easy by simplifying the use of different atomistic simulation software packages.
0
0
0
🚀 New Publication! 🚀.Check out a recent study using SIESTA & TranSIESTA for modeling interfaces!.📄 Probing Water-Electrified Electrode Interfaces: Insights from Au and Pd.🔗 #SIESTA #TranSIESTA #DFT #MaterialsScience #Simulation #ASAP.
pubs.aip.org
The water/electrode interface under an applied bias potential is a challenging out-of-equilibrium phenomenon, which is difficult to accurately model at the atom
0
0
0
🚀 SIMUNE team is delighted to announce the latest release of ASAP (Atomistic Simulation Advanced Platform), ASAP 2025.0. 🚀.
simuneatomistics.com
ASAP is the new simulation platform that makes the complex easy by simplifying the use of different atomistic simulation software packages.
0
0
0
🚀 ASAP 2025.0 – Now Available for Linux! 🚀. We’re excited to share that ASAP (Atomistic Simulation Advanced Platform) is now available for Linux users! 🎉.
simuneatomistics.com
ASAP is the new simulation platform that makes the complex easy by simplifying the use of different atomistic simulation software packages.
0
0
0
🚀 Last week, SIMUNE had the pleasure of joining the Machine Learning with Computational Materials Science Data workshop in Freiburg, Germany-under the COST Innovators Grant IG18234. Great discussions with experts on ML methods for predicting catalytic properties!.#FraunhoferIWM.
0
0
0
🔍 Have you explored J-OCTA yet?. J-OCTA is a multi-scale simulation software for functional material design & life sciences. Watch our new short video showcasing the J-OCTA startup window:. #JOCTA #Simulation #MaterialsScience.
0
0
0
🚀 New Webinar Videos Available! 🎥. Check out our latest webinar videos on J-OCTA! We cover an introduction to the software and a live demo to show its capabilities in action. Watch now: #JOCTA #MaterialModeling #Webinar #Polymers #Multiscale.
youtube.com
0
1
2
📢 Join Our Webinar!. Discover JOCTA’s Capabilities for Polymers Modelling in this exclusive session. 🗓️ Date: Friday, January 31st, 2025.🕥 Time: 09:30 - 10:15 AM CET.Register now here!. #Webinar #JOCTA #Polymers #Multiescale.
simuneatomistics.com
0
1
1
🌟 News from Our Partner JSOL!. We’re excited to share that JSOL, the official distributor of ASAP in Japan, has launched a dedicated ASAP webpage! 🎉.
0
0
0
🚀 Join Our Webinar: Introducing JOCTA’s Capabilities for Polymers Modelling. 🗓️ Date: Friday, January 31st, 2025. 🕥 Time: 09:30 - 10:15 AM CET. Register now here!. #Webinar #JOCTA #Polymers #Multiescale.
simuneatomistics.com
0
0
0
🚀 The SIMUNE Team is excited to share our latest case study!. We demonstrate how to compute & visualize the Fermi surface of a ferromagnetic material using ASAP. Fermi surface visualization is key for understanding electronic properties. #ASAPsoftware.
simuneatomistics.com
0
0
4
🚀 New to SIESTA DFT Code?. Download free parallel binaries for the SIESTA code here:. #SIESTA #DFT #SimulationTools.
simuneatomistics.com
0
0
0
🚀 New content alert! A series of videos from an insightful webinar about ASAP software is now on YouTube! 🧪 The videos provide a beginner-friendly overview to help you get started with this powerful tool. Watch them here:. #ASAPSoftware #MaterialModeling.
0
0
1
Learn about ASAP 2024.1 features in our upcoming webinar,. 🗓️ Date: Friday, Nov. 15, 2024.🕥 Time: 10:30 - 11:15 AM CET. You still have time, register now here!. 🔗
simuneatomistics.com
0
0
0