2 papers
cond-mat.mtrl-sci2024
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-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…