1 citations · 3 across the 7 of their papers we have counts for
8 papers
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…
Bicrystallography-informed Frenkel-Kontorova model for interlayer dislocations in strained 2D heterostructures
Md Tusher Ahmed, Chenhaoyue Wang, Amartya S. Banerjee +1
In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their associati…
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…
Phoneme Hallucinator: One-shot Voice Conversion via Set Expansion
Siyuan Shan, Yang Li, Amartya Banerjee +1
Voice conversion (VC) aims at altering a person's voice to make it sound similar to the voice of another person while preserving linguistic content. Existing methods suffer from a…
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…
The Biological Qubit: Calcium Phosphate Dimers, not Trimers
Shivang Agarwal, Daniel R. Kattnig, Clarice D. Aiello +1
The Posner molecule (calcium phosphate trimer), has been hypothesized to function as a biological quantum information processor due to its supposedly long-lived entangled P…
The Dynamical Ensemble of the Posner Molecule is not Symmetric
Shivang Agarwal, Clarice D. Aiello, Daniel R. Kattnig +1
The Posner molecule, , has long been recognized to have biochemical relevance in various physiological processes. It has found recent attention for its…
The Toughness of Kneser Graphs
Davin Park, Anthony Ostuni, Nathan Hayes +4
The \textit{toughness} of a graph is a measure of its connectivity that is closely related to Hamiltonicity. Brouwer proved the lower bound on the t…