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Simune Atomistics S.L. @SimuneAtomistic

Software & consulting offering atomistic simulations and training to industry and academia. Expertise in SIESTA and Abinit among many others.

Joined February 2015
  • Tweets 596
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149 Photos and videos
Unpredictable molecular migration causes failures that macroscopic tests miss. Predictive Modeling for Polymer Diffusion is here with J-OCTA. Read more: simuneatomistics.com/avada_p… #MaterialScience #JOCTA #PolymerResearch

Polymer Diffusion - Simune Atomistics

simuneatomistics.com
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Season's Greetings from SIMUNE!
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⚛️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-proj… 🚀 Download ASAP simuneatomistics.com/asap/ #QuantumTech #SIESTAcode #DFT #MaterialScience #2DMaterials
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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

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

ASAP - Simune Atomistics

ASAP is the new simulation platform that makes the complex easy by simplifying the use of different atomistic simulation software packages.

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

Simune Atomistics transforma la investigación de materiales con soluciones digitales accesibles -...

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

SOC-Driven Anisotropy in Qubits - Simune Atomistics

simuneatomistics.com
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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-tr… #SIESTA #ASAP #CompChem #MaterialsScience

Request ASAP trial - Simune Atomistics

simuneatomistics.com
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Thanks to everyone who visited the SIMUNE booth at the UAB Innovation Fair yesterday! 👋 We loved connecting with the UAB community! #FiraInnovacioUAB #SIMUNE #Simulation
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📢 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-inn… #UAB #Innovation #ASAP #MaterialsScience #RD
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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
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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/ba… #QuantumComputing #Euskadi #Innovations

The Basque Government and IBM announce the installation of Europe’s First ‘IBM Quantum System Two’...

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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-details/s… #Science #Physics #MaterialsScience #Simulations
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🎉 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/si… See all the details: siesta-project.org/siesta/Do… #SIESTADFT #materialsmodelling

5.4.1 · siesta-project / siesta · GitLab

This is the release of SIESTA 5.4.1. It is the first point release of SIESTA 5.4. Please read the

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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/?cd… #JOCTA #MachineLearning #MaterialsScience
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🚀 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… #J-OCTA #FCEWS #Detergent

Effect of Propylene–Oxide Segment Length on Cleansing Performance of Detergents With Nonionic...

Understanding the relationship between surfactant molecular structure and cleansing performance is essential for the rational design of high-performance detergents. In this study, we investigate the...

aocs.onlinelibrary.wiley.com
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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/multili… #Science #Multilingual

Multilingual support - Simune Atomistics

simuneatomistics.com
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📢 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/arti… #Polymers #ML #FuelCells #DPD
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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-… #DFT #QuantumSimulations #SIESTADFT #MaterialsScience
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