3 papers
cs.AI2026
From Papers to Property Tables: A Priority-Based LLM Workflow for Materials Data Extraction
Koushik Rameshbabu, Jing Luo, Ali Shargh +2
Scientific data are widely dispersed across research articles and are often reported inconsistently across text, tables, and figures, making manual data extraction and aggregation…
cond-mat.mtrl-sci2023
VAE for Modified 1-Hot Generative Materials Modeling, A Step Towards Inverse Material Design
Khalid El-Awady
We investigate the construction of generative models capable of encoding physical constraints that can be hard to express explicitly. For the problem of inverse material design, wh…
cs.LG2023
AdsorbRL: Deep Multi-Objective Reinforcement Learning for Inverse Catalysts Design
Romain Lacombe, Lucas Hendren, Khalid El-Awady
A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastic…