Our review on "Molecular simulation approaches to study crystal nucleation from solutions" is out & open access in WIRES Computational Molecular Science! Thanks to @Sossogroup & the anonymous reviewers for their feedback! Crystallisation in the Real World UCL Chemical Engineering wires.onlinelibrary.wiley.com/doi/10.1002/wc…

Check our latest preprint about the structures and mechanisms involved in the polymerization of sulfur rings in the liquid phase across the puzzling λ-transition by (the one and only) Manyi Yang and Enrico Trizio ⚗️🤖 📜: arxiv.org/abs/2311.04572 IIT Università degli Studi di Milano-Bicocca

Dr Mariana Rossi @dr_marossi, #LiseMeitner group leader at the MPSD, has been awarded the Nernst-Haber-Bodenstein Prize 2024 by the German Bunsen Society for her outstanding achievements in the modelling of complex nanostructures and materials at a quantum-mechanical level. 💐🥂

Happy to announce that in the context of ongoing negotiations between 🇪🇺 and 🇨🇭, Swiss entities can apply to 2025 ERC Starting Grants, ERC Synergy Grants and ERC Consolidator Grants as beneficiaries 🚀. EU Science & Innovation 🇪🇺 Maroš Šefčovič🇪🇺

Happy to be part of it!

open.spotify.com/episode/3bk3vl…

Yes. There is #famine across all of Gaza. This is the consequence of Israel's intentional #starvation, used as part of its genocidal campaign against the Palestinians.

Check this out: a completely free book written bij my physics colleague at U. Amsterdam on "all of physics". It's a beautifully illustrated and highly accessible gem to take the deep dive into (classical & quantum) physics. Thanks Sander Bais! library.oapen.org/viewer/web/vie…

Bothered by the lack of long-range interactions in ML potentials? Meet Latent Ewald Summation—our solution to fix "shortfalls" in short-ranged ML potentials for electrostatic and dielectric systems, with only a modest computational cost! arxiv.org/abs/2408.15165

#compchem Good read: On the design space between molecular mechanics and machine learning force fields arxiv.org/abs/2409.01931

Very excited to share our work on highly accurate densities with neural networks! Microsoft Research #compchem

After 34 years of uninterrupted competition, the Argentine Chemistry Olympiad (OAQ) is at risk of being cancelled due to national funding cuts. The OAQ played a huge role in inspiring my passion for science and guiding me towards an academic pathway. (1/3)

Shout-out to the PLUMED folks who have been working on a gorgeous plumed-tutorials.org website, with everything you wanted to know on rare event sampling. Now featuring also a 🧑‍🚀 lecture on path integral metadynamics plumed-tutorials.org/lessons/24/005…

Post-doctoral position PHENIX lab : Modelling of battery materials

Congratulations!

This is a fantastic opportunity for undergrads to learn about cutting-edge topics in nanoscience from some of my colleagues at CIC nanoGUNE. We will have a hands-on sessions on molecular simulations and machine learning. Please RT and forward the information to potential candidates!

Israeli citizens calling for true international pressure on Israel for an immediate ceasefire. israelicitizensforin.live-website.com/english/

I'm looking for #Postdocs ! 🧑‍🔬🔍 I'm a highly motivated researcher with experience in R programming, network analysis, and multivariate statistics. My focus is on the evolution of ecosystems and biodiversity over deep time. Any retweets or shares are greatly appreciated! 🙏

🎉 Thrilled to announce that our paper MambaLRP has been accepted at #NeurIPS2024! Explain your Mamba models in a faithful, efficient, and effective way! 🐍 Huge thanks to Oliver Eberle @eberleoliver.bsky.social, Grégoire Montavon, and Klaus-Robert Müller BIFOLD, ML Group, TU Berlin , Google DeepMind,

📢 New #preprint describing our community effort to share #plumed tutorials arxiv.org/abs/2412.03595 ! Explore the tutorials at plumed-tutorials.org