activity
20202026
most citedA Chirality-Based Quantum Leap

216 citations · 221 across the 8 of their papers we have counts for

collaborators

10 papers

cs.CL2026

EdgeLLM-Nano: Auditing Polar-Guided Key-Cache Compression and Consistency-Anchored Pruning on a 33.6 MB On-Device Language Model

S M Mahbub Murshed, Hayden Bright, Rezaul Karim +1

Deploying language models (LMs) on the edge presents unique memory, latency, and power challenges absent in high-performance computing. KV-cache compression emerges as a promising…

cond-mat.mtrl-sci2026

AQVolt26: High-Temperature rSCAN Halide Dataset for Universal ML Potentials and Solid-State Batteries

Jiyoon Kim, Chuhong Wang, Aayush R. Singh +6

The demand for safe, high-energy-density batteries has spotlighted halide solid-state electrolytes, which offer the potential for enhanced ionic mobility, electrochemical stability…

cond-mat.mtrl-sci2024★ 1 cited

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…

quant-ph2023★ 2 cited

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…

cond-mat.mtrl-sci2023★ 1 cited

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…

cond-mat.mtrl-sci2023★ 1 cited

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…

quant-ph2022

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…

physics.comp-ph2022

Solution of the Schrodinger equation for quasi-one-dimensional materials using helical waves

Shivang Agarwal, Amartya S. Banerjee

We formulate and implement a spectral method for solving the Schrodinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of t…

quant-ph2021

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…

cond-mat.mes-hall2020★ 216 cited

A Chirality-Based Quantum Leap

Clarice D. Aiello, Muneer Abbas, John M. Abendroth +41

Chiral degrees of freedom occur in matter and in electromagnetic fields and constitute an area of research that is experiencing renewed interest driven by recent observations of th…