I taught principal components analysis, PCA, in my #MachineLearning course yesterday. Some students were curious about the component loadings! Last night I coded this interactive PCA demonstration with Matplotlib. Change the data and watch the variance explained and loadings

An enlightening seminar on molecular motors by @EPenocchio! Thank you for visiting and engaging in valuable discussions with us!

It’s that special time of year when our PhD students showcase their research to the Politecnico di Torino community. A big congrats to Martina Crippa and Matteo Cioni on their presentations! 👏

Philip Ball reviews In a Flight of Starlings: the Wonder of Complex Systems by Giorgio Parisi physicsworld.com/a/giorgio-pari…

New Machine Learning: Science and Technology: Combining local structural (SOAP) & dynamical (LENS) descriptors 1) improves the 2 separating relevant dynamical fluctuations from noise🚀 2) unveils microscopic structure-dynamic relationships for a variety of complex molecular systems🤯 doi.org/10.1088/2632-2…

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Training machine learning potentials for reactive systems: A Colab tutorial on basic models #machinelearning #compchem onlinelibrary.wiley.com/doi/10.1002/jc…

Best of luck, my friend! 👽👽

8 years without my Bro 💛 A stolen life. Yours, mine, ours. #veritàpergiulioregeni #giustiziapergiulioregeni 💛💛💛

Statement regarding my sacking from Max Planck Society hageba2a.blogspot.com/2024/02/statem…

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Promises and Perils of Big Data: Philosophical Constraints on Chemical Ontologies | Journal of the American Chemical Society Chad Risko Risko Lab @ UK University of Kentucky Julia Bursten #BigData #Philosophical #Constraints #Chemical #Ontologies pubs.acs.org/doi/10.1021/ja…

Thrilled to unveil our latest work! ✨✨Bridging experimental and computational approaches, we've achieved unprecedented insights! By integrating experimentally-reconstructed Au-NP structures with #MD simulations and #ML, we now unveil the real-time atomic dynamics of Au-NPs!🚀🚀

Introducing fairchem - our revamped codebase consolidating our AI modeling efforts in chemistry and materials science. fairchem makes it easy to interface with our data, models, demos, and applications - including an easy to use ASE calculator: github.com/FAIR-Chem/fair…

Nice paper shows that the ageing glassy dynamics in the adhesive elastic contact between granular particles influences the mechanics of the whole granular material. Plenty of evidence for the logarithmic relaxation in the ageing mathematically predicted by doi.org/10.1021/acs.ma…

Finally out in PNASNews “Onion 🧅 Clustering” 🚀: an efficient & essentially parameter-free unsupervised clustering method that can classify statistically relevant fluctuations & microscopic dynamical domains in noisy timeseries data of any kind!!🤩🥳 pnas.org/doi/10.1073/pn…

Big congrats to Matteo Cioni on his PhD defense! 🎉✨ After years of hard work Politecnico di Torino, Matteo's brilliant research in molecular dynamics & complex systems has pushed boundaries. 🌌💻 We're proud to celebrate this huge milestone with him! 🚀👨‍🎓 #PhDDefense #Science

#LEAP is out PNAS Nexus!🚀 Building on abstract concepts of local fluctuations & their correlations in space & ⏱️, #LEAP provides info on the physics of complex dynamical systems from the atomic- to the macro-scale in agnostic & purely data-driven way!🤩 academic.oup.com/pnasnexus/arti…

Metals owe their properties to how local defects emerge & amplify in collective dislocations under stress.🛠️ 👉We show how tracking local atomic fluctuations & their space&⏱️correlations allows tracking metals' behavior through the elastic&plastic phases🚀 pubs.aip.org/aip/jcp/articl…