@martanit
Joined November 2021
  • Tweets23
  • Following62
  • Followers26
Martina Crippa retweeted
Dyalog@dyalogapl31 Oct 2024
Team Dyalog is growing! We've recently welcomed Martina (@martanit), who has joined us as an APL developer. Read the full blog at: dyalog.com/blog/2024/10/welc… #TeamDyalog #Careers #NewStarter
A photo of Martina Crippa

ALT A photo of Martina Crippa

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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/pnas.24…
Giovanni M. Pavan Lab@LabPavan14 Feb 2024
Tracking statistically-relevant fluctuations in noisy time-series data is key in many fields, from #MachineLearning, to the study of signals & complex systems! Use Onion #Clustering🧅: easy, unsupervised, physically-interpretable, statistically-robust!🚀🤯 arxiv.org/abs/2402.07786
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Congratulations to all authors! 🍾🔥🚀 Especially @MatteoCioniMC! 🙌👏 A great collaboration with @sandra_van_aert @EmatSarabals @ec_arslan (experimental results). Terrific modeling & #ML work by @MatteoCioniMC @MaxDellePiane @dpolino85 @rapetti_daniele @martanit @pamara54! 💪
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Tracking statistically-relevant fluctuations in noisy time-series data is key in many fields, from #MachineLearning, to the study of signals & complex systems! Use Onion #Clustering🧅: easy, unsupervised, physically-interpretable, statistically-robust!🚀🤯 arxiv.org/abs/2402.07786
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Fresh @ J. Chem. Eng. Data the new work of @mattiaperr! 🥳🤩 We tested SwarmCG to automatically optimize rigid 3-site water models onto multiple microscopic (exp. g(r))+macroscopic thermodynamic properties, hitting the physical limits of such models!🧐🤯 pubs.acs.org/doi/10.1021/acs…

Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water...

Abstract. The development of accurate water models is of primary importance for molecular simulations. Despite their intrinsic approximations, three-site r

pubs.acs.org
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Terrific work by @martanit!💪🥳🍾 Congratulations to all the other coauthors: @asicardellini @MatteoCioniMC Gábor Csányi (@Cambridge_Uni) @pamara54!!👏🙌 🙏@ERC_Research @snsf_ch @PoliTOnews @supsi_ch🙏 Data & code available at: zenodo.org/records/10213827 github.com/GMPavanLab/cpctoo…
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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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A great computational+experimental collaboration demonstrating how experiments & computation together can bring us to the next level!🚀 Congratulations all coauthors @MatteoCioniMC @MaxDellePiane @dpolino85 @rapetti_daniele @martanit @ec_arslan @sandra_van_aert @EmatSarabals 👏🙌
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Check out the result of our collaboration with @DDasLab just out on @J_A_C_S! Peptide assemblies can not only catalyze reactions but also be used to up- and down-regulate reactivity like native enzymes 🤩 pubs.acs.org/doi/abs/10.1021…

Emergence of Photomodulated Protometabolism by Short Peptide-Based Assemblies

Abstract. In the early Earth, rudimentary enzymes must have utilized the available light energy source to modulate protometabolic processes. Herein, we rep

pubs.acs.org
Dibyendu Das@DDasLab17 Sep 2023
Just out @J_A_C_S we show catalytic activity modulation for reaction network generation via peptide-based assemblies bound to a photosensitive molecular cofactor #nonequilibrium #catalysis #chemicalnetworks pubs.acs.org/doi/epdf/10.102… grateful to SJF @serbonline @iiserkol (1/3)
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Thrilled to have hosted Prof. Kudernac @tkudernac from University of Groningen for a seminar on ‘Life-like Supramolecular Mechanics.’ A compelling look into the future of bio-inspired supramolecular systems! Thank you for your invaluable insights!
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Congratulations to @LionelloChiara for earning the first PhD in @LabPavan! Her presentation was nothing short of excellent! Here's to impactful research and a bright future ahead! 👏🎓#PhD #Milestone
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We’re off to a great start 🚀 with @c__caruso delivering an insightful presentation on her recent work, TimeSOAP. This new powerful SOAP-based descriptor tracks time variations in molecular environments! Read the full paper at doi.org/10.1063/5.0147025 📄
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Now @arxiv: @martanit shows what you get combining SOAP & LENS descriptors into structural+dynamic datasets:🚀🍾 1) The 2 descriptors complete each other!🧐 2) Microscopic structure-dynamics relationships for a variety of complex molecular systems!🤯 arxiv.org/abs/2308.16829

Machine learning of microscopic structure-dynamics relationships...

In many complex molecular systems, the macroscopic ensemble's properties are controlled by microscopic dynamic events (or fluctuations) that are often difficult to detect via pattern-recognition...

arxiv.org
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Replying to @mattiaperr
@mattiaperr tested #SwarmCG to optimize 3-site rigid water models!🥤🌊 @ChemRxiv: "Lessons learned from multi-objective automatic optimizations of classical three-site rigid water models using microscopic and macroscopic target experimental observables"!🧐 go.shr.lc/3QdtriK
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Massive effort 💪🏋️‍♂️by @martanit @asicardellini @c__caruso @pamara54!🙌 Congratulations on this nice result!👏🥳
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Martina Crippa retweeted
Matteo Cioni@MatteoCioniMC19 Jul 2023
Hey @GeoGuesser! 😡 Love your game, but the 19/07 challenge? Big OUCH! 🤦‍♂️ Nailed it with Lesotho (🇱🇸 ftw!) but your glitchy algorithm snatched away 1000+ points. 📉 Checked the rules, that's NOT how it's supposed to go! 📚 Seeking #JusticeForGmplab. Round review, please? 🧐💻
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Just out #openaccess @JCIM_JCTC our new work: "Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG"!🧐🤯✌️🥳🍾 pubs.acs.org/doi/10.1021/acs… Massive effort @CEmpereurMot !🏋️‍♂️👏 Great collaboration with K. Pedersen @SouzaPauloCT & the @CG_Martini group!🤝🙌

Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG

Abstract. After two decades of continued development of the Martini coarse-grained force field (CG FF), further refinment of the already rather accurate Ma

pubs.acs.org
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Now #OpenAccess @ChemicalScience a computational approach that allows studying the dynamics of rotaxanes & molecular shuttles at atomistic resolution!🤯 Congrats @LeanzaLuigi @Clanzow @JoeBanana_LP @mvdelius @matteoslvlgl @pamara54 for this masterpiece!🙌 pubs.rsc.org/en/content/arti…

Into the dynamics of rotaxanes at atomistic resolution†

Mechanically-interlocked molecules (MIMs) are at the basis of artificial molecular machines and are attracting increasing interest for various applications

pubs.rsc.org
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Like SOAP-based analyses? Just out @JChemPhys our paper "TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time variations of SOAP spectra"!🍾🥳 pubs.aip.org/aip/jcp/article… Great work @c__caruso @martanit @asicardellini @rapetti_daniele @pamara54!💪🙌
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Huge effort by @CEmpereurMot!👏💪 Great collaboration with @CG_Martini group!🤝 Congratulations all coauthors @CEmpereurMot K. Pedersen @ric_capelli @martanit @c__caruso @mattiaperr @SouzaPauloCT @CG_Martini @pamara54!🙌 🙏Supported by @ERC_Research @snsf_ch @KeyMimic @cscsch!🙏
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