From the 1 of 5 linked papers with an AI index.
5 papers
SciSchema.org: A Multidisciplinary Collection of Schemas for Structured Scientific Process Descriptions
Jennifer D'Souza, Sameer Sadruddin, Anisa Rula +23
The paper introduces SciSchema.org, a multidisciplinary collection of 16 expert‑annotated schemas for describing scientific processes in a structured way, created using a human‑in‑…
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Evaluating Morphological Compositional Generalization in Large Language Models
Mete Ismayilzada, Defne Circi, Jonne Sälevä +6
Large language models (LLMs) have demonstrated significant progress in various natural language generation and understanding tasks. However, their linguistic generalization capabil…
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali +32
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientifi…
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…