1 citations · 3 across the 7 of their papers we have counts for
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Electronic structure prediction of medium and high entropy alloys across composition space
Shashank Pathrudkar, Stephanie Taylor, Abhishek Keripale +6
We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated allo…
Electronic Structure Prediction of Multi-million Atom Systems Through Uncertainty Quantification Enabled Transfer Learning
Shashank Pathrudkar, Ponkrshnan Thiagarajan, Shivang Agarwal +2
The ground state electron density -- obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations -- contains a wealth of material information, making its prediction v…
Carbon Kagome Nanotubes -- quasi-one-dimensional nanostructures with flat bands
Hsuan Ming Yu, Shivam Sharma, Shivang Agarwal +2
We introduce carbon Kagome nanotubes (CKNTs) -- a new allotrope of carbon formed by rolling up sheets of Kagome graphene, and investigate the properties of this material using firs…