Enjoyed the first day of Helmholtz AI Conference 2022! Center for Advanced Systems Understanding at HZDR Helmholtz AI #AI #ML #HelmholtzAIcon 2022

Generative and Discriminative networks

Density functional approximation.

Gifts to expect from your nerd boyfriend 🌻 Karan Shah "A smiling elephant standing on a sunflower" no context memes OpenAI Koni #dalle2

my quantum mechanics exam

NaN

Michael Scott predicting autoregressive LLMs in 2009

This is my .bashrc

Thanks to #DPG for organizing a great #SKM2023 Spring Meeting . My group's research at HZDR @[email protected] and Center for Advanced Systems Understanding at HZDR on #MachineLearning and #materialsscience is featured in the following talks and poster. It is not too late to catch us for a discussion at TU Dresden.

Learnt a lot at #OpenScienceRetreat2023 and met some great people. We compiled a list of applications of Large Language Models towards Open Science. Living document here: wuqui.github.io/llms-and-open-… wip with 🐘 Álvaro Tejero-Cantero @[email protected] Quirin Würschinger et al Thanks Heidi Seibold @[email protected] for organising it! Center for Advanced Systems Understanding at HZDR

We are excited to announce that the Data Science Education Community of Practice (DSECOP) project has been featured in an article published in APS News on April 13, 2023. See the article here: buff.ly/3UReROc

Thanks for the interview Center for Advanced Systems Understanding at HZDR! casus.science/news/casus-new…

Excited to share our new book chapter in the Springer Nature book series Challenges and Advances in #compchem and #physics: #MachineLearning for Static and Dynamic #ElectronicStructureTheory. #CondMat #MatSci HZDR @[email protected] Center for Advanced Systems Understanding at HZDR doi.org/10.1007/978-3-…

In our preprint we explore how #NeuralNetworks are used for inverting the Kohn-Sham equations of #DensityFunctionalTheory. #materialsscience #compchem #machinelearning HZDR @[email protected] Center for Advanced Systems Understanding at HZDR UC Merced Helmholtz AI Karan Shah arXiv.org arxiv.org/abs/2312.15301

Density functional theory is powerful, but finding the right exchange-correlation (XC) potential is tricky. Our new paper with UC Merced explores how #AI can solve this fundamental problem. #compchem HZDR @[email protected] Center for Advanced Systems Understanding at HZDR Helmholtz AI IOP Publishing tinyurl.com/ys4apd4c

Great new work by Karan Shah Attila Cangi Permanent Eko et al UC Merced Chemistry UC Merced Nat Sci HZDR @[email protected] Center for Advanced Systems Understanding at HZDR Helmholtz AI- 'Inverting the Kohn–Sham equations with #physics-informed #machinelearning'-iopscience.iop.org/article/10.108… #PINNs #compchem #DFT #materials #HPC #AI

I am pleased to announce that our new research group website is now online. Check it out: sites.google.com/view/mlmd/ Keep up to date on our research activities in #MachineLearning for #Materials and stay tuned for more news. #compchem #compphys #theochem #condmat #AI

🚀 In a preprint with Karan Shah on electron dynamics simulations, we've accelerated state-of-the-art time-dependent #DFT using #NeuralOperators. #MachineLearning #compchem #ICML2024 Helmholtz AI HZDR @[email protected] Center for Advanced Systems Understanding at HZDR ICML Conference doi.org/10.48550/arXiv…