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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 30/04/2026

𝗔𝗠𝗦𝟮𝟬𝟮𝟲 𝗶𝘀 𝗵𝗲𝗿𝗲: next-gen ML potentials (eSEN, MACE, UMA), broader chemical coverage, GPU speedups, and streamlined workflows. From materials to reactions—faster, reproducible research. Try it now or request a free trial. 👉zurl.co/zzy9H

zurl.co

release-notes-amsterdam-modeling-suite-2026 - SCM

Tackle your chemistry & materials challenges with our comprehensive computational chemistry package: the Amsterdam Modeling Suite

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 12/12/2025

⚡ The future is electric — and our 𝗻𝗲𝘄 𝗯𝗮𝘁𝘁𝗲𝗿𝘆 𝗲𝘅𝗽𝗹𝗮𝗶𝗻𝗲𝗿 video shows how the 𝗔𝗺𝘀𝘁𝗲𝗿𝗱𝗮𝗺 𝗠𝗼𝗱𝗲𝗹𝗶𝗻𝗴 𝗦𝘂𝗶𝘁𝗲 helps researchers innovate faster, smarter, and with confidence. Watch now and see 𝗮𝘁𝗼𝗺𝗶𝘀𝘁𝗶𝗰 𝗺𝗼𝗱𝗲𝗹𝗶𝗻𝗴 in action! 🎬🔋#compchemsky #matsky youtu.be/zBwyPn-U_XA?...

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Accelerate Battery Innovation with the Amsterdam Modeling Suite

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 09/12/2025

New in Nature Communications: A careful re-analysis using ADF calculations shows 𝗲𝗻𝗮𝗻𝘁𝗶𝗼𝗺𝗲𝗿𝘀 𝗵𝗮𝘃𝗲 𝗶𝗱𝗲𝗻𝘁𝗶𝗰𝗮𝗹 𝗡𝗠𝗥 𝗝 𝗰𝗼𝘂𝗽𝗹𝗶𝗻𝗴𝘀—previous differences were computational artifacts. Find out more: www.scm.com/highlights/c... #compchemsky #matsky

Correcting the Record: DFT Confirms J Couplings Are Enantio-Insensitive

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 28/11/2025

Explore 𝗔𝗠𝗦𝗹𝗲𝘃𝗲𝗹𝘀 in this tutorial video! 🎥 See how 𝗳𝗿𝗮𝗴𝗺𝗲𝗻𝘁-𝗯𝗮𝘀𝗲𝗱 𝗮𝗻𝗮𝗹𝘆𝘀𝗶𝘀 makes 𝗼𝗿𝗯𝗶𝘁𝗮𝗹 𝗹𝗼𝗰𝗮𝗹𝗶𝘇𝗮𝘁𝗶𝗼𝗻 faster, clearer, and more 𝗶𝗻𝘁𝘂𝗶𝘁𝗶𝘃𝗲. Perfect for learning and practical applications. Watch here: youtu.be/VumU30V6Tu0 #compchemsky #matsky

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Visualizing HOMO–LUMO Localization in DNA Bases with AMSlevels + DFTB

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 21/11/2025

A very practical shortcut for computational chemists—𝘃𝗲𝗿𝗶𝗳𝘆𝗶𝗻𝗴 𝘁𝗿𝗮𝗻𝘀𝗶𝘁𝗶𝗼𝗻 𝘀𝘁𝗮𝘁𝗲𝘀 𝗺𝘂𝗰𝗵 𝗳𝗮𝘀𝘁𝗲r without compromising accuracy. Definitely a timesaver in day-to-day calculations! youtu.be/3xgpMGbPPeM #compchemsky #matsky

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Unlock Faster Transition State Verification in AMS: How to Use PESPointCharacterization

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 14/11/2025

Explore how to model 𝗣𝗖𝗕𝗠 𝗮𝗯𝘀𝗼𝗿𝗽𝘁𝗶𝗼𝗻 𝘄𝗶𝘁𝗵 𝗧𝗗𝗗𝗙𝗧 and the faster sTDDFT in ADF. Learn to set up 𝗲𝘅𝗰𝗶𝘁𝗲𝗱-𝘀𝘁𝗮𝘁𝗲 𝗰𝗮𝗹𝗰𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀, visualize spectra, and compare accuracy vs computational cost for 𝗼𝗿𝗴𝗮𝗻𝗶𝗰 𝗽𝗵𝗼𝘁𝗼𝘃𝗼𝗹𝘁𝗮𝗶𝗰𝘀. youtu.be/MYStR_h2cII #compchemsky #matsky

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Fast & Accurate Excited-State Calculations for PCBM: TDDFT vs sTDDFT in ADF | AMS

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 07/11/2025

🚀 𝗡𝗲𝘄 𝗔𝗠𝗦 𝘃𝗶𝗱𝗲𝗼! Learn how to export your GUI setups directly to Python scripts and automate 𝗵𝗶𝗴𝗵-𝘁𝗵𝗿𝗼𝘂𝗴𝗵𝗽𝘂𝘁 𝘀𝗶𝗺𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀 in Jupyter Lab. Faster workflows, smarter materials design. 🔋🐍 www.youtube.com/watch?v=rHJu... #compchemsky #matsky

youtube.com

Streamline Computational Workflows with Python in the Amsterdam Modeling Suite | AMS

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 31/10/2025

𝗦𝗖𝗠 𝗶𝘀 𝗮𝘁 #𝗔𝗜𝗖𝗵𝗘𝟮𝟬𝟮𝟱 𝗶𝗻 𝗕𝗼𝘀𝘁𝗼𝗻! 🎉 Visit us at 𝗕𝗼𝗼𝘁𝗵 𝟮𝟬𝟳 and catch 𝘁𝗮𝗹𝗸𝘀 & 𝗽𝗼𝘀𝘁𝗲𝗿𝘀 from Nestor Aguirre and Wei-Lin Chen on catalysis, ML, and materials modeling. Don’t miss it! #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 31/10/2025

Ever wondered how a 𝘁𝗵𝗶𝗻 𝗳𝗶𝗹𝗺 𝗴𝗿𝗼𝘄𝘀 𝘄𝗶𝘁𝗵 𝗮𝘁𝗼𝗺𝗶𝗰 𝗿𝗲𝘀𝗼𝗹𝘂𝘁𝗶𝗼𝗻? 🌟 Simulate adsorption, reactions, and layer-by-layer growth with MD/MC in the Amsterdam Modeling Suite — atom-by-atom insights before stepping into the lab! www.youtube.com/watch?v=G6Wj... #compchemsky #matsky

youtube.com

Modeling Chemical Vapor Atomic Layer Deposition with the Amsterdam Modeling Suite | AMS

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 27/10/2025

Exciton transport made easy with 𝗙𝗢𝗖𝗗𝗙𝗧 𝗶𝗻 𝗔𝗗𝗙 💡 Calculate singlet & triplet transfer integrals, explore distance/orientation effects in pyrene dimers, and extend to larger systems. youtu.be/oKP_4XI4iXw #compchemsky #matsky

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Exciton Transfer Integrals with FOCDFT in ADF | Singlet and Triplet States | AMS

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 17/10/2025

This week’s AMS video explores 𝗣𝗘𝗦𝗘𝘅𝗽𝗹𝗼𝗿𝗮𝘁𝗶𝗼𝗻, our tool for 𝗮𝘂𝘁𝗼𝗺𝗮𝘁𝗶𝗻𝗴 𝗿𝗲𝗮𝗰𝘁𝗶𝗼𝗻 𝗽𝗮𝘁𝗵𝘄𝗮𝘆 𝗱𝗶𝘀𝗰𝗼𝘃𝗲𝗿𝘆. See how it finds transition states & maps reactions in real time! 🎥 www.youtube.com/watch?v=lrmy... #compchemsky #matsky

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Automating Reaction Pathway Discovery with AMS PESExploration | AMS

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 12/10/2025

𝗛𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 #𝗘𝗖𝗦𝟮𝟰𝟴 𝗶𝗻 𝗖𝗵𝗶𝗰𝗮𝗴𝗼 (𝗢𝗰𝘁 𝟭𝟮–𝟭𝟲)? Visit us at 𝗕𝗼𝗼𝘁𝗵 #𝟱𝟬𝟮 to explore the Amsterdam Modeling Suite (AMS) for battery & materials research. Don’t miss Nicolas Onofrio’s poster on Oct 13, 18:00 (A03 Symposium). 🔋 #compchemsky #matsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 10/10/2025

𝗠𝗢𝗙𝘀 𝗮𝗿𝗲 𝗶𝗻 𝘁𝗵𝗲 𝘀𝗽𝗼𝘁𝗹𝗶𝗴𝗵𝘁 𝗮𝗳𝘁𝗲𝗿 𝘁𝗵𝗲 𝗿𝗲𝗰𝗲𝗻𝘁 𝗡𝗼𝗯𝗲𝗹 𝗣𝗿𝗶𝘇𝗲! 🎉 Check out this AMS video tutorial to see how easy it is to generate, optimize, and explore MOF structures — including custom SBUs and defects. #MOFs #chemnobel #chemsky #compchemsky youtu.be/L9C2drf0VqA?...

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AMS insights: Design Your Own Metal–Organic Frameworks (MOFs) with Autografs

YouTube video by AmsterdamDensityFunctional

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 08/10/2025

🚀 𝗘𝘅𝗰𝗶𝘁𝗶𝗻𝗴 𝗣𝗵𝗗 𝗼𝗽𝗽𝗼𝗿𝘁𝘂𝗻𝗶𝘁𝘆 𝗶𝗻 𝗔𝗺𝘀𝘁𝗲𝗿𝗱𝗮𝗺! Join us to develop methods & software for simulating vibrational spectroscopies of chiral molecules. 3-year EU Marie Curie position with attractive benefits. Apply here: www.scm.com/news/job-ope... #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 07/10/2025

𝗦𝗖𝗠 𝗶𝘀 𝗵𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 𝗦𝗘𝗠𝗜𝗖𝗢𝗡 𝗪𝗲𝘀𝘁 𝟮𝟬𝟮𝟱 (𝗢𝗰𝘁 𝟲–𝟵, 𝗣𝗵𝗼𝗲𝗻𝗶𝘅)! Join us at Chips & Drinks – NL Showcase 🇳🇱 on 𝗢𝗰𝘁 8 @ 𝗞𝗶𝘁𝗲𝗿𝗼𝗰𝗸𝗲𝘁 (free tickets!). Meet Fedor Goumans to learn how simulations accelerate new semiconductor processes & materials. #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 06/10/2025

𝗠𝗲𝗲𝘁 𝗦𝗖𝗠 𝗮𝘁 #𝗧𝗵𝗲𝗕𝗮𝘁𝘁𝗲𝗿𝘆𝗦𝗵𝗼𝘄 𝟮𝟬𝟮𝟱! ⚡️ 📍 Booth 6445, Oct 6–9, Detroit We’ll showcase the Amsterdam Modeling Suite (AMS) — helping researchers predict battery performance, design next-gen electrodes/electrolytes & accelerate R&D. #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 19/09/2025

DFT calculations with the ADF program can now 𝗽𝗿𝗲𝗱𝗶𝗰𝘁 𝘁𝗵𝗲 𝗢𝘃𝗲𝗿𝗵𝗮𝘂𝘀𝗲𝗿 𝗲𝗳𝗳𝗲𝗰𝘁 𝗶𝗻 𝗗𝗡𝗣 𝗿𝗮𝗱𝗶𝗰𝗮𝗹𝘀. Computed hyperfine couplings and rotation barriers match experiments, showing computational chemistry can guide radical design before synthesis. zurl.co/7iJHH #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 10/09/2025

🎉 Congrats to Javier Domínguez, winner of the SCM ParAMS ML Challenge 2025 at #WATOC! 👏 Thanks to all participants for your enthusiasm & contributions in pushing M3GNet forward for polymerization reactions. 🚀 #MachineLearning #ComputationalChemistry #matsky #compchemsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 25/08/2025

𝗔𝘁 𝗣𝘀𝗶-𝗸 𝗶𝗻 𝗟𝗮𝘂𝘀𝗮𝗻𝗻𝗲? 🌍 Meet Nestor & Nicolas (SCM) — our booth opens today 13:00! Let’s talk materials challenges & how AMS with DFT, ReaxFF & ML can boost your R&D in batteries, OLEDs, semiconductors, catalysts & more. 📍 𝗕𝗼𝗼𝘁𝗵 𝗵𝗼𝘂𝗿𝘀: 𝗠𝗼𝗻 𝟭𝟯–𝟭𝟳𝗵 | 𝗧𝘂𝗲–𝗧𝗵𝘂 𝟭𝟬–𝟭𝟳𝗵 #psik2025 #compchemsky #matsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 21/08/2025

Hey #IMID2025! 👋 Stop by Bart Klumpers’ 𝗽𝗼𝘀𝘁𝗲𝗿 𝗼𝗻 𝗢𝗟𝗘𝗗 𝗺𝗼𝗱𝗲𝗹𝗶𝗻𝗴 (P2-170, Aug 21, 14:00 KST / 07:00 CEST, Hall 2A, BEXCO). See results from our 𝗖𝘆𝗻𝗼𝗿𝗮 𝗰𝗮𝘀𝗲 𝘀𝘁𝘂𝗱𝘆 & chat about connecting atomistic insights to device-level performance! #OLED #compchemsky #matsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 19/08/2025

𝗦𝗖𝗠 𝗶𝘀 𝗵𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 𝗔𝗖𝗦 𝗙𝗮𝗹𝗹 𝟮𝟬𝟮𝟱 𝗶𝗻 𝗗𝗖! 🧪 Find Fedor & Nestor at Booth 2325: 🗓 Aug 18–20 | ⚡ Materials modeling, catalysis, AMS2025 🎯 Don’t miss Nestor’s poster: Automated multiscale modeling for accelerated catalyst design 🗓 Wed, Aug 20 | 🕕 6–8 PM 📍 Hall C #ACSFall2025 #CompChemSky #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 13/08/2025

𝗦𝗖𝗠 𝘄𝗶𝗹𝗹 𝗷𝗼𝗶𝗻 #𝗜𝗠𝗜𝗗𝟮𝟬𝟮𝟱 𝗶𝗻 𝗕𝘂𝘀𝗮𝗻, 𝗞𝗼𝗿𝗲𝗮 📍 𝗕𝗼𝗼𝘁𝗵 #𝟯𝟳, Hall 2A, Exhibition Center Ⅰ, BEXCO 🗓️ Aug 21 | 14:00–15:30 📄 𝗣𝗼𝘀𝘁𝗲𝗿: Multiscale Modeling of OLED Devices 👤 B. Klumpers, with TU/e collaborators 📌 Session P2-170, Hall 2A Let’s connect on display innovation! #compchemsky #matsky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 31/07/2025

UD researchers used AMS - COSMO-RS to fast-track green extraction & purification from potato peel waste 🥔➡️🌿 🔹 2,400+ solvents screened 🔹 Bio-based adsorbents designed 🔹 92% recovery of key compounds Smart modeling = less waste, more impact ♻️ zurl.co/0p5JG #compchemsky #matsky

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Harnessing COSMO-RS for Sustainable Innovation: From High-Throughput Solvent Screening to Smart Adsorbent Design - SCM

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 25/07/2025

📬 𝗜𝗻𝘁𝗲𝗿𝗲𝘀𝘁𝗲𝗱 𝗶𝗻 𝗺𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗺𝗼𝗱𝗲𝗹𝗶𝗻𝗴? Get AMS news every 2–3 months: updates, tutorials, jobs, events & more. No spam. No pressure. Unsubscribe anytime. zurl.co/LT8o1 #MatSky #CompChemSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 09/07/2025

SCM is at 𝗕𝗼𝗼𝘁𝗵 𝟭𝟳𝟬𝟰 at the Battery Cells & Systems + Vehicle Electrification Expo @ NEC Birmingham! ⚡ 🗓 July 9 (09:30–16:30) 🗓 July 10 (09:30–16:00) 🎤 𝗖𝗮𝘁𝗰𝗵 𝗙𝗲𝗱𝗼𝗿’𝘀 𝗽𝗮𝗻𝗲𝗹: Machine Learning for Sustainable Materials 📅 July 10, 11:30 @ Theatre 2 #AMS25 #MatSky #CompChemSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 09/07/2025

🚀 New meta-GGA LAK hits the sweet spot: hybrid-level band gaps and accurate energetics—at semi-local cost. Perfect for high-throughput, defects, surfaces & more. Available in 𝗔𝗠𝗦 𝟮𝟬𝟮𝟱.𝟭 (MetaGGA lak) zurl.co/z5tFI

scm.com

Accurate Binding and Band Gaps at low computational cost with a non-empirical Meta-GGA - SCM

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 30/06/2025

New Nature paper uses ¹⁹⁵Pt solid-state NMR + ADF 2022 to probe Pt single-atom catalysts. δᵢₛₒ/Ω maps reveal how synthesis and ligands shape Pt sites. Great showcase of ADF in catalyst research. zurl.co/kPIQv #CompChem #CompChemSky #MatSky

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Coordination of Pt Single-Atom Catalysts via NMR: Experiment and Theory - SCM

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 23/06/2025

𝗦𝗖𝗠 𝗶𝘀 𝗵𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 𝗪𝗔𝗧𝗢𝗖 𝟮𝟬𝟮𝟱 𝗶𝗻 𝗢𝘀𝗹𝗼! 🧪 Matti & David will be there June 22–27 to chat all things AMS2025—from catalysis to machine learning. Come find us at the SCM booth, share your ideas, and let’s talk theory & tools! #WATOC2025 #CompChem #CompChemSky #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 20/06/2025

🎯 𝗪𝗔𝗧𝗢𝗖 𝗮𝘁𝘁𝗲𝗻𝗱𝗲𝗲𝘀 — take on the 𝗣𝗮𝗿𝗔𝗠𝗦 𝗖𝗵𝗮𝗹𝗹𝗲𝗻𝗴𝗲 𝟮𝟬𝟮𝟱! Tune the M3GNet ML potential for polymerization reactions & 𝘄𝗶𝗻 𝗮 €𝟮𝟱𝟬 𝗔𝗺𝗮𝘇𝗼𝗻 𝘃𝗼𝘂𝗰𝗵𝗲𝗿 💥 🧪 Sign up at the SCM booth 📅 Deadline: July 15 🔗 More: zurl.co/SbFPJ #WATOC2025 #MatSky #CompChem #CompChemSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 26/05/2025

𝗛𝗲𝗮𝗱𝗶𝗻𝗴 𝘁𝗼 𝗘-𝗠𝗥𝗦 𝗦𝗽𝗿𝗶𝗻𝗴 𝗶𝗻 𝗦𝘁𝗿𝗮𝘀𝗯𝗼𝘂𝗿𝗴? Come chat with Nicolas Onofrio at booth 13 about your toughest challenges in batteries, semiconductors & materials modeling ⚡️ See you there! #EMRS2025 #MatSky #CompChem #CompChemSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 22/05/2025

Big news from SCM — we’ve moved! 🏢 You can now find us in the iconic OZW building at VU Amsterdam. A fresh space for more research, collaboration & innovation. 📍 De Boelelaan 1109, 4C-02a, Amsterdam

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 20/05/2025

We are happy to support #MLCM25 with two Research Excellence Awards for outstanding posters in ML for chem & materials science. Good luck to all presenters — and wishing everyone an inspiring conference! #MachineLearning #CompChemSky #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 18/05/2025

🔋⚡ Heading to ECS Montreal (May 19-21)? Visit SCM at Booth 315! Let’s tackle your R&D challenges & accelerate battery & electrocatalyst development with AMS! #CompChemSky #batteries #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 14/05/2025

🚨 𝗪𝗲’𝗿𝗲 𝗵𝗶𝗿𝗶𝗻𝗴! Join us as a Marie Curie PhD Fellow in COSMO-RS & Thermodynamics for Electrolytes – a prestigious opportunity to advance your research career. Apply now! zurl.co/JVj2D #CompChemSky #MatSky

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Job opening: Marie Curie PhD fellowship – COSMO-RS / Thermodynamics for Electrolytes - SCM

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 13/05/2025

zurl.co/iEQTb 🔬 𝗔𝗰𝗰𝗲𝗹𝗲𝗿𝗮𝘁𝗲 𝘆𝗼𝘂𝗿 𝗢𝗟𝗘𝗗 𝗥&𝗗! Watch Bart Klumpers break down OLED modeling—from molecules to full devices—using SCM’s Bumblebee 3D-kMC tool. 🚀 Get inspired & visit us at booth 1834 at SID Display Week! #CompChemSky #OLEDs #MatSky

youtube.com

Modelling OLED: From Molecule to Device in Data-driven R&D Acceleration | Bart Klumpers | BumbleBee

TIMESTAMPS:00:35 OLED Modeling: From Molecule to Device02:31 Screening Emitter Lifetimes03:50 Predicting Colour Spectra05:10 From Molecule to Layer07:19 Mult...

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 13/05/2025

www.scm.com/ams2025/?utm_sou... 🚀𝗔𝗠𝗦𝟮𝟬𝟮𝟱 𝗶𝘀 𝗵𝗲𝗿𝗲 — 𝗳𝗮𝘀𝘁𝗲𝗿, 𝘀𝗺𝗮𝗿𝘁𝗲𝗿, 𝗮𝗻𝗱 𝗺𝗼𝗿𝗲 𝗽𝗼𝘄𝗲𝗿𝗳𝘂𝗹! 🔬 OLED modeling redefined with Bumblebee 2025 🧠 ML potentials + Quantum ESPRESSO upgrades 💻 JuPyter-ready GUI + COSMO-SAC DHB-MESP Explore the future of materials science. #AMS2025 #CompChemSky #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 12/05/2025

Join Fedor at booth 1834 on the SID Display Week to see how Bumblebee 3D KMC modeling optimizes OLEDs with atomistic simulations, boosting performance & reducing roll-off! #CompChemSky #OLEDs #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 05/05/2025

zurl.co/H0XEP ReaxFF + bond boost in AMS2024 were used to model vitrimer behavior, capturing key bond-exchange dynamics. Results match experiments and offer molecular insight into viscoelasticity. Great work! #CompChemSky #MatSky

zurl.co

Accelerated ReaxFF Simulations of Vitrimers with Dynamic Covalent Adaptive Networks - SCM

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 28/04/2025

www.scm.com/news/new-ams-ref... 𝗧𝗵𝗲 𝗻𝗲𝘄 𝗼𝗽𝗲𝗻-𝗮𝗰𝗰𝗲𝘀𝘀 𝗿𝗲𝗳𝗲𝗿𝗲𝗻𝗰𝗲 𝗽𝗮𝗽𝗲𝗿 𝗳𝗼𝗿 𝘁𝗵𝗲 𝗔𝗺𝘀𝘁𝗲𝗿𝗱𝗮𝗺 𝗠𝗼𝗱𝗲𝗹𝗶𝗻𝗴 𝗦𝘂𝗶𝘁𝗲 (𝗔𝗠𝗦) 𝗶𝘀 𝗽𝘂𝗯𝗹𝗶𝘀𝗵𝗲𝗱 𝗶𝗻 𝗝. 𝗖𝗵𝗲𝗺. 𝗣𝗵𝘆𝘀.! It covers multi-scale modeling with DFT, molecular mechanics, thermodynamics, machine learning & more — all integrated in AMS. #CompChemSky #MatSky

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 11/04/2025

zurl.co/GDIxh 𝗧𝗵𝗲𝗼𝗿𝗲𝘁𝗶𝗰𝗮𝗹 𝗰𝗮𝗹𝗰𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀 𝘄𝗶𝘁𝗵 𝗔𝗠𝗦 𝗿𝗲𝘃𝗲𝗮𝗹 𝗼𝗿𝗶𝗴𝗶𝗻 𝗼𝗳 𝘃𝗶𝗼𝗹𝗲𝘁-𝗯𝗹𝘂𝗲 𝗲𝗺𝗶𝘀𝘀𝗶𝗼𝗻 𝗶𝗻 𝟮𝗗 𝗵𝘆𝗯𝗿𝗶𝗱 #𝗽𝗲𝗿𝗼𝘃𝘀𝗸𝗶𝘁𝗲 New (ethylammonium)₂CdBr₄ shows narrow-band photoluminescence at 388 nm with a wide band gap of 4.25 eV. A step forward for blue-emitting semiconductors! #CompChemSky #OLEDs #MatSky

scm.com

Theoretical calculations reveal origin of violet-blue emission in semiconducting 2D hybrid perovskite - SCM

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Reposted by The Amsterdam Modeling Suite (SCM)

Matthias Bickelhaupt @fmbickelhaupt.bsky.social · 03/04/2025

New work from the TheoCheM Group: "Organocatalyzed Diels‐Alder Reactions: Unexplored Hydrogen Bond Donor Catalysts", has been published by Eveline Tiekink, Ron Verdijk, Trevor Hamlin, and Matthias Bickelhaupt in: doi.org/10.1002/cplu... #publishedarticle #TheoCheMGroup #ChemPlusChem #CompChem #VUA

doi.org

Organocatalyzed Diels‐Alder Reactions: Unexplored Hydrogen Bond Donor Catalysts

Quantum chemical activation strain analyses show that urea-derived hydrogen-bond organocatalysts, including unconventional alternatives to the C=O group (e. g., C=C and C=Si), lower the Diels-Alder r...

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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 04/04/2025

www.scm.com/news/explore-per... We’ve gathered selected #perovskite applications of AMS for you! Explore case studies & insights on modeling and optimizing perovskite materials. #CompChemSky #OLEDs #MatSky

scm.com

Explore Perovskite Applications with AMS - SCM

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