⚡ Read the practical guide to making 🔥 Large Language Models (LLMs) 💪 work for you. #llm #generativeai

My supervisor Rich Turner has written an introduction to transformers. I highly recommend anyone wanting to learn (more) about transformers to take a look, it is precise and concise at the same time. arxiv.org/abs/2304.10557

Exciting news! Fernanda Duarte and I will be jointly chairing an Royal Society of Chemistry Faraday Discussions meeting on "data-driven discovery" in chemistry. We aim to bring together the molecular & materials communities to discuss databases, AI/ML, and more. See rsc.li/3QdkKDz (+ thread) (1/3)

"The value of a college education is not the learning of many facts but the training of the mind to think." -- A. Einstein (1879 - 1955)

Checkout UniMat -- a unified representation of materials that enables scaling of diffusion models to millions of stable crystal structures. Website: unified-materials.github.io Paper: arxiv.org/abs/2311.09235

Bonding in the solid state can have ionic, covalent, & metallic character. Intermetallic compounds exhibit all three types of bonding, as metal elements span the periodic table and possess a diverse range of electronegativities. The van Arkel-Ketalaar Triangle explains it all! △

THEN vs NOW: New College Lane looking towards the Bridge of Sighs 📷 | Oxon History Centre (POX0294886) #ThrowbackThursday

I'm teaching #Bayesian methods in my #DataAnalytics course this week. To support my students, I built this custom #Python dashboard with Matplotlib. Change the prior, likelihood and observed the posterior on #GitHub @ github.com/GeostatsGuy/Py… ∀. #DataScience #Statistics

Forever 💜

Want to run DFT workflows using Quantum Espresso but don't know where to start? Tom Demeyere of University of Southampton has written an excellent blog post about the use of quacc to do so! tomdemeyere.github.io/blog/2024/quac….

Wishing everybody celebrating a happy, healthy and prosperous #LunarNewYear! 🐉🎉 #ChineseNewYear | #YearOfTheDragon

Announcing "load-atoms": a simple-to-use Python package for downloading, inspecting and handling datasets of atomistic structures! #compchem jla-gardner.github.io/load-atoms/

LeBron James: Founding member of the 40K points club 👑

🔓New #OpenAccess article published in JPCM! Learn more about 'Graph attention neural networks for mapping materials and molecules beyond short-range interatomic correlations' here 📎: iopscience.iop.org/article/10.108… Yuanbin Liu IOPmaterials

Rad Cam reflections 🌧️ 📷 Instagram | SueHarmer1 (October, 2022)

There's lots of choice out there of for algorithms to perform simulations at constant-temperature 🌡️. If you want to make an informed choice, there's now a #cookbook recipe ready to try 🧑‍🍳 atomistic-cookbook.org/examples/therm…

Read this Perspective by Volker Deringer, Lena Simine and collaborators, highlighting how recent advances in computational materials modelling and AI are bringing the design of amorphous materials within reach: rdcu.be/d3Tku

Can we “design” amorphous materials with useful properties? In a Perspective in NatRevMaterials, we argue that #compchem and AI are bringing us closer towards this ambitious goal. Thank you Yuanbin Liu, Ata, Andy Sode Anker, & Lena Simine! 🙂 Read more here: rdcu.be/d3JD6

Excited to explore how #compchem & AI are advancing amorphous material design in our latest NatRevMaterials Perspective. Big thanks to Volker Deringer, Ata, Andy Sode Anker, & Lena Simine for the great collaboration! Read more: rdcu.be/d3JD6

In a broad international collaboration with researchers from 🇬🇧 and 🇨🇳 we have explored more than 100,000 carbon polymorphs searching for ultrahigh lattice thermal conductivity. nature.com/articles/s4152…