Adsorb-Agent: autonomous identification of stable adsorption configurations <i>via</i> a large language model agent

Adsorb-Agent: an LLM-powered agent for determining the most stable adsorption configurations using reasoning and prior knowledge.

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Publication Details

Journal
Digital Discovery
Published
2025-12-19
DOI
https://doi.org/10.1039/d5dd00298b
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Adsorb-Agent: autonomous identification of stable adsorption configurations via a large language model agent

Digital Discovery
Machine Learning in Materials Science
article

Adsorb-Agent: autonomous identification of stable adsorption configurations via a large language model agent

article en

Abstract

Adsorb-Agent: an LLM-powered agent for determining the most stable adsorption configurations using reasoning and prior knowledge.

Digital DiscoveryVol. 5(2)
University of Nebraska–Lincoln (US), Carnegie Mellon University (US)
Affordable and clean energy
Openalex Percentile: Top 49%
Machine Learning in Materials Science
DOIOpen Access PDFOpenAlex
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