Into self-assembly, complex molecular systems & materials science w/ computer models, simulations & machine learning | Managed by @LabPavan members @PoliTOnews

Torino (IT)
Joined December 2019
In non-cooperative systems, all entities populating them suffer comparably from external perturbations. In cooperative systems (with internal "interactions-avidity"), the stronger units survive at the expense of the weaker ones!🤯
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Big congrats to @MatteoCioniMC on his PhD defense! 🎉✨ After years of hard work @PoliTOnews, Matteo's brilliant research in molecular dynamics & complex systems has pushed boundaries. 🌌💻 We're proud to celebrate this huge milestone with him! 🚀👨‍🎓 #PhDDefense #Science
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A cluster of Au atoms collectively sliding (nanosecond-dynamics) on the surface of an Au NP at 300 K!! 😮 Analysis conducted with the LENS descriptor (pnas.org/doi/10.1073/pnas.23…, xitter.cf/LabPavan/status/168200…).
New @PNASNews our descriptor "Local Environments & Neighbors Shuffling (LENS🔍)"!🥳🍾 Via #MachineLearning LENS allows detecting dynamic domains & local fluctuations in complex molecular systems via timelapse neighbors shuffling.🤯🤓 General & simple!!🧐🚀 pnas.org/doi/10.1073/pnas.23…
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Example 2: Onion clustering colors a collective wave n an experimental (microscopic) trajectory of a system of Quincke rollers (dielectric colloidal particles suspended in a conducting fluid & exposed to a vertical DC electric field) obtained from pnas.org/doi/full/10.1073/pn… (Ref.57)
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Colored trajectory of example system 1 based on the Onion detected clusters:
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Step-by-step, Onion Clustering detects the evident microscopic dynamical domains in the time-series, classify them, subtract their noise & re-analyze the data. At every iteration, the discovery of hidden dynamical domains is facilitated by an enhancing signal-to-noise ratio.🤓
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Example 👇: Fancy atomic dynamics in a Cu(211) surface at 600 K. 🔴🟠🟢🔵atoms belong to different (structural) SOAP surface domains. Fast-diffusing 🩷 atoms correspond to LENS domains/fluctuations that are not captured & increase the noise in a purely SOAP-based analysis!🤓🥸🤩
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Another day, another couple of PhD students from our lab! A big 👏 to @mattiaperr and @c__caruso! 📸
It’s that special time of year when our PhD students showcase their research to the @PoliTOnews community. A big congrats to @martanit and @MatteoCioniMC on their presentations! 👏
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It’s that special time of year when our PhD students showcase their research to the @PoliTOnews community. A big congrats to @martanit and @MatteoCioniMC on their presentations! 👏
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An enlightening seminar on molecular motors by @EPenocchio! Thank you for visiting and engaging in valuable discussions with us!
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Replying to @pamara54
@pamara54 showing our group’s recent work at MolSimEng 2023 at @polimi
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And with this we are thrilled to announce the successful completion of the first generation of PhD students in our group! Kudos to @agardinon, @LeanzaLuigi, and @LionelloChiara!!
Today, spotlight shines on @agardinon and @LeanzaLuigi for successfully defending their PhD theses! You both made all of us at @LabPavan exceedingly proud! 👏
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Today, spotlight shines on @agardinon and @LeanzaLuigi for successfully defending their PhD theses! You both made all of us at @LabPavan exceedingly proud! 👏
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In the movie: an example of local collective dynamic motion of atoms on the face of an Au NP at 300 K of temperature identified by our LENS descriptor (pnas.org/doi/10.1073/pnas.23…) along 2 µs-long MD simulations which started from ADF-STEM experimentally determined NP structures.🤩🚀
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