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Want to know how to extrapolate the behavior of hot electrons from ground state data? Check out Chiheb Ben Mahmoud on Thursday at 15:15 talking about his recent work in collaboration with Federico Grasselli.

Come and check our latest work in Psi-k conference! Done in COSMO Lab with Federico Grasselli

Interatomic potentials based on #machinelearning are everywhere in #materials modeling and #compchem, but how about other functional properties? Check out a perspective, just out on #MRSBulletin link.springer.com/article/10.155… that paints a pretty upbeat picture of what can be done

The Junior Seminar series is back! Today's 50th, hybrid, features Taylor Baird (CECAM, EPFL) and Chiheb Ben Mahmoud (COSMO Lab, EPFL), presenting work on a novel approach to 1st-principles molecular dynamics and an ML model for the DOS. Info: nccr-marvel.ch/events/marvel-…

All hail Dr. Chiheb Ben Mahmoud, freshly-minted Doctor és Sciences, and #DOSBOSS! 👏🍾

A pleasure to welcome Dr Chiheb Ben Mahmoud (Chiheb Ben Mahmoud) as a new postdoctoral researcher Deringer Group Oxford! Chiheb will lead activities on #MachineLearning for spectroscopy & structural characterisation of amorphous materials, as key part of our UK Research and Innovation Frontier Research project.

#compchem ists love to define and interpret atoms-in-molecules energy decompositions. #MachineLearning models do that for you, but can you trust the values to mean something? See the latest 🧑‍🚀 #preprint, in collab with Deringer Group Oxford to find out arxiv.org/abs/2306.15638 🧵

Very excited to invite you to #MLIP23 workshop in wintry magical Finland Aalto University, 6-11 November! We have an awesome lineup of speakers and a mix of talks+hands-on sessions from ML techniques to applications beyond the PES. mlip-workshop.xyz/home Apply by 22 September!

After a painful proofing stage 🤬 the latest and greatest from 🧑‍🚀 Sanggyu "Raymond" Chong , Chiheb Ben Mahmoud and Federico Grasselli, and Deringer Group Oxford Joe Morrow & Volker Deringer is out on JCIM & JCTC Journals . So let us introduce the Local Prediction Rigidity and why you should care.🧵 pubs.acs.org/doi/10.1021/ac…

Delighted to share that last week I started an Swiss National Science Foundation Postdoc.Mobility fellowship hosted at Deringer Group Oxford Oxford Chemistry . Grateful for the opportunity to delve deeper into modelling materials properties and continue collaborating with the amazing people here

Excited to see my first postdoc paper with Deringer Group Oxford 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

How random is the structure of amorphous silicon? Louise's (Louise Rosset'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

Over the past ~year at COSMO Lab we have been working on something new, and we want to share a #preview of the #atomisticcookbook: lab-cosmo.github.io/atomistic-cook…. This is a repo/website collecting recipes to solve simulation problems 📖🧑‍🍳

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