214 citations · 1k across the 35 of their papers we have counts for
4 papers · 1 filter
AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org
Jaehyung Lee, Justin Ely, Kent Zhang +3
Agentic AI systems increasingly connect large language models (LLMs) to external scientific tools, yet whether and when tool access improves prediction accuracy remains uncharacter…
Accelerated prediction of dielectric functions in solar cell materials with graph neural networks
Caden Ginter, Kamal Choudhary, Subhasish Mandal
We present an atomistic line graph neural network (ALIGNN) model for predicting dielectric functions directly from crystal structures. Trained on 7000 dielectric functions fr…
AtomBench: A Benchmarking Framework for Generative Crystal Reconstruction Models in Conventional Superconductors
Charles Rhys Campbell, Aldo H. Romero, Kamal Choudhary
A key question in benchmarking generative crystal reconstruction models is how the amount and type of crystallographic information provided to a generative model affects its abilit…
The JARVIS Infrastructure is All You Need for Materials Design
Kamal Choudhary
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is a unified platform for multiscale, multimodal, forward, and inverse materials design. It integrates di…