most citedAre large language models superhuman chemists?

19 citations · 39 across the 6 of their papers we have counts for

collaborators

6 papers

cs.LG2025★ 1 cited

General-Purpose Models for the Chemical Sciences: LLMs and Beyond

Nawaf Alampara, Anagha Aneesh, Martiño Ríos-García +6

Data-driven techniques have a large potential to transform and accelerate the chemical sciences. However, chemical sciences also pose the unique challenge of very diverse, small, f…

cond-mat.mtrl-sci2025★ 1 cited

Lessons from the trenches on evaluating machine-learning systems in materials science

Nawaf Alampara, Mara Schilling-Wilhelmi, Kevin Maik Jablonka

Measurements are fundamental to knowledge creation in science, enabling consistent sharing of findings and serving as the foundation for scientific discovery. As machine learning s…

cs.LG2024★ 6 cited

Probing the limitations of multimodal language models for chemistry and materials research

Nawaf Alampara, Mara Schilling-Wilhelmi, Martiño Ríos-García +5

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from…

cs.LG2024★ 5 cited

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…

cond-mat.mtrl-sci2024★ 7 cited

From Text to Insight: Large Language Models for Materials Science Data Extraction

Mara Schilling-Wilhelmi, Martiño Ríos-García, Sherjeel Shabih +5

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditional…

cs.LG2024★ 19 cited

Are large language models superhuman chemists?

Adrian Mirza, Nawaf Alampara, Sreekanth Kunchapu +32

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. Howeve…