Masgent: an AI-assisted materials simulation agent

Digital Discovery 2026 Open access

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Authors: Guangchen Liu, Songge Yang, Yu Zhong
DOI: 10.1039/d6dd00043f
Cited by: 1
References: 64

Abstract

Masgent is an AI-driven materials simulation agent that translates user intent into automated workflows. Integrating DFT, MLPs, and ML with a feedback loop, it streamlines simulations and accelerates data-driven materials discovery.

Fields of Study & Subjects

Machine Learning in Materials Science Scientific Computing and Data Management Block Copolymer Self-Assembly

Publication details

Journal / source
Digital Discovery
Publisher
Royal Society of Chemistry (RSC)
Volume
5
Issue
5
Pages
2151–2171
Publication date
1 January 2026
Language
EN