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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM)
@ams-software.bsky.social
39 followers 27 following 29 posts
Our heart is in Amsterdam, our team is global. At SCM, passionate scientists develop AMS, a powerful suite for computational chemistry & materials science. From spectroscopy to chemical processes, AMS covers quantum mechanics to fluid thermodynamics.
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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 23h
🚀 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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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 1d
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 · 2d
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 · 19d
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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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · 28d
🎉 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 · Aug 25
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 · Aug 21
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
ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Aug 19
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 · Aug 13
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 · Jul 31
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
Harnessing COSMO-RS for Sustainable Innovation: From High-Throughput Solvent Screening to Smart Adsorbent Design - SCM
zurl.co
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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Jul 25
📬 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
ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Jul 9
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
ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Jul 9
🚀 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
Accurate Binding and Band Gaps at low computational cost with a non-empirical Meta-GGA - SCM
www.scm.com
ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Jun 30
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
Coordination of Pt Single-Atom Catalysts via NMR: Experiment and Theory - SCM
zurl.co
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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · Jun 23
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 · Jun 20
🎯 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 · May 26
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 · May 22
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 · May 20
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
ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · May 18
🔋⚡ 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 · May 14
🚨 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
Job opening: Marie Curie PhD fellowship – COSMO-RS / Thermodynamics for Electrolytes - SCM
zurl.co
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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · May 13
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
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...
www.youtube.com
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The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · May 13
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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ams-software.bsky.social
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social · May 12
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 · May 5
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
Accelerated ReaxFF Simulations of Vitrimers with Dynamic Covalent Adaptive Networks - SCM
zurl.co
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