Simune Atomistics S.L.

Unpredictable molecular migration causes failures that macroscopic tests miss. Predictive Modeling for Polymer Diffusion is here with J-OCTA. Read more: simuneatomistics.com/avada_portfoli… #MaterialScience #JOCTA #PolymerResearch

Season's Greetings from SIMUNE!

⚛️The hBN Story: A Quantum Material Our #HorizonEurope "TIMES" project is out! Using ASAP & SIESTA (HS06), we modeled hBN bandgap & defects. 🔗 Results: simuneatomistics.com/rd-projects/ 🚀 Download ASAP simuneatomistics.com/asap/ #QuantumTech #SIESTAcode #DFT #MaterialScience #2DMaterials

SIESTA USERS, HYBRID FUNCTIONALS ARE HERE! 👏 Contact Simune if you want to use hybrid functional features (available exclusively in Simune’s SIESTA 5.0 preview). lnkd.in/dT9DrwH9 simuneatomistics.com #SIESTA #DFT #ComputationalChemistry #MaterialsScience

ASAP 2025.1 is here! It grants you exclusive, early access to Hybrid Functionals in SIESTA. Trial link below! simuneatomistics.com/asap/

Join us at CIC nanoGUNE for an insightful seminar on advanced material modeling! 🗓️ 1/12/25 11:00 📍 CIC nanoGUNE, San Sebastian, Spain nanogune.eu/en/seminar/mat… #MaterialScience #MaterialModeling #RAndD #ScientificResearch #AtomisticSimulation #Nanogune #Simune #Seminar

We're excited to share SPRI Article Highlighting Simune’s Mission for Accessible Atomistic Simulation 🚀 Full article (in Spanish) here: spri.eus/es/tecnologia-… #MaterialsScience #AtomisticSimulation #DigitalTransformation #hpcomputing #SimuneAtomistics #InnovationInAction

⚛️ Modeling Qubit Stability with ASAP Read the case study: simuneatomistics.com/case-study/soc… Request a trial today! simuneatomistics.com/asap/

Simune's SIESTA Pseudos/Basis Sets are now ONLY on ASAP! Upgrade your R&D: Ditch the command line and use our intuitive GUI. Faster simulations, zero overhead. Get your 1-month FREE trial now 🚀 👉 simuneatomistics.com/asap-trial-req… #SIESTA #ASAP #CompChem #MaterialsScience

Thanks to everyone who visited the SIMUNE booth at the UAB Innovation Fair yesterday! 👋 We loved connecting with the UAB community! #FiraInnovacioUAB #SIMUNE #Simulation

📢 SIMUNE is coming to the Fira d’Innovació UAB (Oct 21)! 💡 Discover how atomistic simulation solves complex material challenges. See you at the UAB Campus! Details: pruab.cat/en/agenda/fira… #UAB #Innovation #ASAP #MaterialsScience #RD

Simune welcomes Karina Landivar, a PhD candidate from University of Milan, as part of the TIMES project! 🎉 Karina will use ASAP to compute the electronic properties of defects in 2D materials for quantum technologies applications. times.uv.es #siesta #ASAP

SIMUNE (Basque Country-based, active in quantum computing) is proud to share: The IBM Quantum System Two, Europe's most advanced quantum computer, will be inaugurated on October 15th in Donostia! basquequantum.eus/en/news/basque… #QuantumComputing #Euskadi #Innovations

Announcing the CECAM-SIESTA School 2025! 🎉 A great opportunity for anyone new to #SIESTA. 📅 Nov 17-21, 2025 ✍️ Register by Oct 17, 2025 💻 Bring your own laptop More info & registration here: cecam.org/workshop-detai… #Science #Physics #MaterialsScience #Simulations

🎉 Big news from the SIESTA community! 🎉 The new SIESTA 5.4.1 release is officially out. Ready to check it out? Download it here: gitlab.com/siesta-project… See all the details: siesta-project.org/siesta/Documen… #SIESTADFT #materialsmodelling

New case study alert! Our partner, J-OCTA, used machine learning to efficiently analyze thermal conductivity in silicon. 🔬 We're an official distributor and can help you get started. Read the full study: j-octa.com/cases/caseA76/… #JOCTA #MachineLearning #MaterialsScience

🚀 New Paper Alert! New research shows how J-OCTA and FCEWS were used in #SurfactantDesign. The study used simulations to analyze how a segment in nonionic surfactants impacts cleansing performance.aocs.onlinelibrary.wiley.com/doi/10.1002/js… #J-OCTA #FCEWS #Detergent

Science is global, but we know speaking your language makes collaboration easier. SIMUNE offers now a website in multiple languages and multilingual support! simuneatomistics.com/multilingual-s… #Science #Multilingual

📢 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. 🔗 pubs.rsc.org/en/content/art… #Polymers #ML #FuelCells #DPD

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. 🔗 simuneatomistics.com/siesta-toolkit #DFT #QuantumSimulations #SIESTADFT #MaterialsScience