Zakariya El-Machachi

128 posts

Zakariya El-Machachi

@ZakMachachi

4th year PhD student interested in amorphous materials modelling using ML, MD & DFT. @VLDGroupOx , @tmcscdt , Soton Alumnus. Vinyl enthusiast. He/Him

Katılım Ekim 2021

266 Takip Edilen188 Takipçiler

Sabitlenmiş Tweet

Zakariya El-Machachi@ZakMachachi·19 Kas

Our recent work on exploring reactivity and structure of graphene oxide is fully published in @angew_chem ! We combine accelerated AIMD with MACE to model nano scale simulations of GO and rGO. As always a pleasure to work with @VLDGroupOx & @m_a_caro onlinelibrary.wiley.com/doi/full/10.10…

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Volker Deringer@vl_deringer·18 Ara

Can we “design” amorphous materials with useful properties? In a Perspective in @NatRevMater, we argue that #compchem and AI are bringing us closer towards this ambitious goal. Thank you @YuanbinLiu2, Ata, @SodeAndy, & @thesiminegroup! 🙂 Read more here: rdcu.be/d3JD6

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John Gardner@jla_gardner·9 Ara

🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨 #compchem #ML

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Angewandte Chemie@angew_chem·19 Kas

Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide (Volker L. Deringer and co-workers) @VLDGroupOx @m_a_caro @ZakMachachi #openaccess onlinelibrary.wiley.com/doi/10.1002/an…

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Zakariya El-Machachi@ZakMachachi·6 Eyl

@MolecularXtal Awesome news Janine! Congrats to you and the group on the grant 🎉🥳

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Zakariya El-Machachi@ZakMachachi·6 Eyl

@BAMResearch @MolecularXtal @ERC_Research Amazing news! Congrats!

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BAM_DE@BAMResearch·5 Eyl

Janine George @MolecularXtal erhält einen @ERC_Research Starting Grant von 1,5 Mio. Euro für ihr Projekt "Multibonds". Ziel: Ein neues Verständnis chemischer Mehrzentrenbindungen, um maßgeschneiderte Materialien zu entwickeln. Herzlichen Glückwunsch! 🎉bam.de/Content/DE/Pre…

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Zakariya El-Machachi@ZakMachachi·24 Tem

Amazing new work led by @lamrosset addressing the age old debate, CRN or paracrystalline? Well articulated arguments and novel findings reframing our understanding of the fundamental nature of amorphous materials. Well worth the read and some beautiful figures also! Bravo 👏

Volker Deringer@vl_deringer

How random is the structure of amorphous silicon? Louise's (@lamrosset's) new preprint addresses this question using fast ML-driven simulations & detailed analysis. Great collaboration as always with @dadrabold! Read more here: arxiv.org/abs/2407.16681

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Zakariya El-Machachi@ZakMachachi·12 Tem

Really enjoyed my time in Dublin at @ChemEurope @YoungChemists #ECC9 here are some 📸 from my talk discussing novel approaches to data, synergising ML frameworks and democratising research through foundation models! Big thanks to @maxmenche & Co. for inviting me along 😁

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Zakariya El-Machachi@ZakMachachi·8 Tem

First day at ECC-9 has been wonderful! If you’re here, my poster is at FP1.608 today! I’ll also be part of the “AI in Chemistry” symposium this Wednesday. 😄🇮🇪 @ChemEurope @EuChemS @EuChemS_Congres

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Miguel Caro@m_a_caro·29 Haz

I saw the round of 16 draw for the Euro2024 and thought "what a coincidence 3/8 games are between countries that share a land border". Then thought again "maybe it's actually quite likely". Then wrote a Python code to check the actual odds. 1/3 #EURO2024

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Zakariya El-Machachi@ZakMachachi·29 Haz

@MOFSoton The world needs more people like you Darren!

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Zakariya El-Machachi@ZakMachachi·28 Haz

@m_a_caro This is a good tip! I heard a lot about Cork last time I was there actually (especially the rival stout!)

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Miguel Caro@m_a_caro·28 Haz

@ZakMachachi This is great, but if you like Dublin you should visit Cork too! Best city in Ireland.

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Zakariya El-Machachi@ZakMachachi·28 Haz

I’m really excited to be invited to share some recent developments in the “AI in Chemistry” session. It’s great to be returning to Dublin, one of my favourite cities, to connect with so many young researchers to share ideas and results. Look forward to seeing you all there 😁🇮🇪

EYCN@YoungChemists

🌟 Presenting the EYCN Early-Career Program at #ECC9! 🌟 Join us for inspiring career panels, engaging workshops on science communication, and expert networking opportunities. Don't miss out! 🌱🔬 #EYCN #YoungScientists #ECC9 #Conference2024 @EuChemS_Congres @EuChemS

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Chiheb Ben Mahmoud@bm_chiheb·13 Haz

Excited to see my first postdoc paper with @VLDGroupOx online🎉We explore the critical role of datasets as the backbone of atomistic ML, some established and promising techniques for building these datasets, and the challenges of curating, sharing, and extending high-quality data

Volker Deringer@vl_deringer

Data as the next challenge in atomistic #MachineLearning - very happy to share this Comment in @NatComputSci 🙂 Thank you Chiheb (@bm_chiheb) & John (@jla_gardner)! Read more here: nature.com/articles/s4358…

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Zakariya El-Machachi@ZakMachachi·24 May

@KateMurnane8 @m_a_caro Cheers Kate! 😁

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Zakariya El-Machachi@ZakMachachi·24 May

Proud to share some recent work on understanding the atomic scale structure of graphene oxide and how this structure changes during thermal reduction. Really fun collabaration with colleagues here in Oxford and also an excuse to work with the amazing @m_a_caro and Tigany!

Volker Deringer@vl_deringer

What does graphene oxide (GO) look like on the atomic scale? And how does its structure change during heating? Excited to share this #compchem preprint – led by Zak (@ZakMachachi), & including a great collaboration with @m_a_caro's group! Read more here: arxiv.org/abs/2405.14814

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Miguel Caro@m_a_caro·22 May

Our paper on experiment-driven atomistic materials modeling is now out in @J_A_C_S. Hats off to Tigany Zarrouk and the other coauthors. Read the synopsis (miguelcaro.org/wp/2024/05/22/…) and the paper (pubs.acs.org/doi/full/10.10…). Thanks @SuomenAkatemia and @CSCfi. @AaltoUniversity

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Zakariya El-Machachi@ZakMachachi·24 May

Take a look here: arxiv.org/abs/2405.14814

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Zakariya El-Machachi@ZakMachachi·30 Mar