Deringer Group Oxford

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Deringer Group Oxford

Deringer Group Oxford

@VLDGroupOx

We are a computational research group at @OxfordChemistry. We aim to understand the structure of complex inorganic materials on the atomic scale.

Oxford, UK Katılım Ağustos 2020
114 Takip Edilen536 Takipçiler
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Oxford Chemistry
Oxford Chemistry@OxfordChemistry·
Profs @vl_deringer and @fjduarteg have both been busy hosting a Faraday Discussions meeting in Oxford! "Data-Driven Chemistry": exploring #ML and #AI for chemical discovery. You can read about it here: chem.ox.ac.uk/article/farada… @OxfordChemistry @TrinityOxford @Faraday_D #FD_Data
Volker Deringer@vl_deringer

A key idea behind #FD_Data was to build new connections between the molecular and materials #compchem communities – and so it’s jointly chaired by @fjduarteg & myself. Super excited to now see this idea become reality 😀 @Faraday_D

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Volker Deringer
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
Zakariya El-Machachi@ZakMachachi·
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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Zakariya El-Machachi
Zakariya El-Machachi@ZakMachachi·
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!
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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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John Gardner
John Gardner@jla_gardner·
Very pleased to present our new pre-print: "Synthetic data for pre-training neural-network potentials" 😌 See 👇🧵 for a quick summary, or have a complete read here: arxiv.org/abs/2307.15714 All thoughts and comments very welcome! 1/
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Volker Deringer
Volker Deringer@vl_deringer·
New group photo! 😀 Such a pleasure to see team @VLDGroupOx expanding and going strong - thanks to everyone's creative contributions, & to generous support by @UKRI_News @EPSRC and of course @OxfordChemistry
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Volker Deringer
Volker Deringer@vl_deringer·
A pleasure to welcome Dr Chiheb Ben Mahmoud (@bm_chiheb) as a new postdoctoral researcher @VLDGroupOx! Chiheb will lead activities on #MachineLearning for spectroscopy & structural characterisation of amorphous materials, as key part of our @UKRI_News Frontier Research project.
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Yuxing Zhou
Yuxing Zhou@yux_Zhou·
A good example of combining machine-learned potentials with chemical bonding analysis (using LOBSTER 🦞!) - both are my favorite tools to study inorganic chemistry 😆! Special thanks to Stephen and @vl_deringer for fabulous contributions!
Volker Deringer@vl_deringer

Congratulations @yux_Zhou whose work on amorphous red phosphorus is now published in Angewandte Chemie (@angew_chem)! 🥳 We combine ML-driven #compchem & LOBSTER bonding analysis to study this widely-known, yet structurally highly complex material: onlinelibrary.wiley.com/doi/full/10.10…

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Keşfet

@vl_deringer @fjduarteg @OxfordChemistry @TrinityOxford @Faraday_D @yux_Zhou @DFT_duToit @tyc_london