216 citations · 221 across the 8 of their papers we have counts for
3 papers · 1 filter
Entanglement and coherence in pure and doped Posner molecules
Betony Adams, Ilya Sinayskiy, Shivang Agarwal +1
The potential role of spin in biological systems is a primary topic in quantum biology. However, much of this research focuses on electron spin. A recent hypothesis suggests that n…
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…