214 citations · 224 across the 6 of their papers we have counts for
8 papers
RegExtract: A Benchmark for PFAS Regulatory Information Extraction with LLMs
Defne Circi, Krystelle Lionti, Sarathkrishna Swaminathan +8
Extracting structured information from regulatory documents is a critical but challenging task. Relevant facts are scattered across long, legally dense texts, and traceability of e…
SciSchema.org: A Multidisciplinary Collection of Schemas for Structured Scientific Process Descriptions
Jennifer D'Souza, Sameer Sadruddin, Anisa Rula +23
Scientific processes are often described in heterogeneous article discourse, with details needed for comparison, reproducibility, reuse, and automation dispersed across prose, tabl…
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…
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…
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…
Extracting Polymer Nanocomposite Samples from Full-Length Documents
Ghazal Khalighinejad, Defne Circi, L. C. Brinson +1
This paper investigates the use of large language models (LLMs) for extracting sample lists of polymer nanocomposites (PNCs) from full-length materials science research papers. The…
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…