125 citations · 225 across the 9 of their papers we have counts for
3 papers · 1 filter
AtomVision: A machine vision library for atomistic images
Kamal Choudhary, Ramya Gurunathan, Brian DeCost +1
Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be use…
Rapid Prediction of Phonon Structure and Properties using an Atomistic Line Graph Neural Network (ALIGNN)
Ramya Gurunathan, Kamal Choudhary, Francesca Tavazza
The phonon density-of-states (DOS) summarizes the lattice vibrational modes supported by a structure, and gives access to rich information about the material's stability, thermodyn…
Mapping Thermoelectric Transport in a Multicomponent Alloy Space
Ramya Gurunathan, Suchismita Sarker, Christopher K. H. Borg +4
Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity through large compositional disorder. However, h…