output
20232025
most cited14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

214 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing cond-mat.mtrl-sciShow all

4 papers · 1 filter

cond-mat.mtrl-sci2025★ 7 cited

Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening

Victor Trinquet, Matthew L. Evans, Gian-Marco Rignanese

Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. How…

cond-mat.mtrl-sci2024★ 8 cited

Optical materials discovery and design with federated databases and machine learning

Victor Trinquet, Matthew L. Evans, Cameron J. Hargreaves +2

Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are inc…

cond-mat.mtrl-sci2024★ 49 cited

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Matthew L. Evans, Johan Bergsma, Andrius Merkys +56

The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…

cond-mat.mtrl-sci2023★ 214 cited

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…