Karan Shah

Curious (more so confused) grad student. Simulation @Roblox, PhD @CASUSscience, prev, @GeorgiaTech & @Livermore_Lab. I ∈ {Science ∩ ML}.

[GaTech CSE @GTCSE]

We have no further comments at this time

[Karan Shah @ReKarantNetwork]

@eigensteve I am happy to help!

[Attila Cangi @AttilaCangi]

🚀 In a preprint with @ReKarantNetwork on electron dynamics simulations, we've accelerated state-of-the-art time-dependent #DFT using #NeuralOperators.

#MachineLearning #compchem #ICML2024

@helmholtz_ai @HZDR_Dresden @CASUSscience @icmlconf

https://t.co/wHWHokZbjy

[Attila Cangi @AttilaCangi]

I am pleased to announce that our new research group website is now online.

Check it out: https://t.co/KGjP0gYWNz

Keep up to date on our research activities in #MachineLearning for #Materials and stay tuned for more news.

#compchem #compphys #theochem #condmat #AI

[Karan Shah @ReKarantNetwork]

@soren_iverson @nutimody because ❤️

[Machine Learning: Science and Technology @MLSTjournal]

Great new work by @ReKarantNetwork @AttilaCangi @opsimaths et al @UCMChemistry @UCMerced_NatSci @HZDR_Dresden @CASUSscience @helmholtz_ai- 'Inverting the Kohn–Sham equations with #physics-informed #machinelearning'-https://t.co/M2eisqO7a8 #PINNs #compchem #DFT #materials #HPC #AI

[Attila Cangi @AttilaCangi]

Density functional theory is powerful, but finding the right exchange-correlation (XC) potential is tricky. Our new paper with @ucmerced explores how #AI can solve this fundamental problem. #compchem @HZDR_Dresden @CASUSscience @helmholtz_ai @IOPPublishing
https://t.co/nTQxP7YPDl

[Karan Shah @ReKarantNetwork]

@ChengBingqing @PierMorgante @UCB_Chemistry @ISTAustria Congratulations!

[Karan Shah @ReKarantNetwork]

@angryfermion When's your talk?

[Attila Cangi @AttilaCangi]

In our preprint we explore how #NeuralNetworks are used for inverting the Kohn-Sham equations of #DensityFunctionalTheory.

#materialsscience #compchem #machinelearning

@HZDR_Dresden @CASUSscience @ucmerced
@helmholtz_ai @ReKarantNetwork @arxiv

https://t.co/HfNtxKfEPu

[Attila Cangi @AttilaCangi]

Excited to share our new book chapter in the @SpringerNature book series Challenges and Advances in #compchem and #physics: #MachineLearning for Static and Dynamic #ElectronicStructureTheory.
#CondMat #MatSci
@HZDR_Dresden @CASUSscience

https://t.co/IhQOdv8iFU

[Karan Shah @ReKarantNetwork]

@ParnaviPatel Same except mostly stay in the second part

[Karan Shah @ReKarantNetwork]

@ParnaviPatel @canyonmooooonn Spilling everything from kombucha to coffee

[Karan Shah @ReKarantNetwork]

Thanks for the interview @CASUSscience!

https://t.co/kXxDS0azfw

[Karan Shah @ReKarantNetwork]

@michael_nielsen He would be even more amused about Atlanta
https://t.co/3Z7xaE6fhP

[APSDataScience @APSDataScience]

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: https://t.co/DMaSkTdmpv

[Karan Shah @ReKarantNetwork]

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: https://t.co/S9KAnXzC1m
wip with @alvorithm @wuqui_ et al
Thanks @HeidiBaya for organising it! @CASUSscience

[Heidi Seibold @[email protected] @HeidiBaya]

Check out what happened at the Open Science Retreat 2023! 🤩

#OpenScienceRetreat23

https://t.co/pxoCc1kfnu

[Attila Cangi @AttilaCangi]

Thanks to #DPG for organizing a great #SKM2023 Spring Meeting . My group's research at @HZDR_Dresden and @CASUSscience on #MachineLearning and #materialsscience is featured in the following talks and poster. It is not too late to catch us for a discussion at @tudresden_de.

[Karan Shah @ReKarantNetwork]

@roydanroy When Dr. Aurelius submitted to ICML

[Karan Shah @ReKarantNetwork]

This is my .bashrc

[the finite physicist @FinitePhysicist]

import numpy as plt