AI for Science期刊第二卷第一期文章出版

22 Apr 2026 gabriels
AI for Science期刊聚焦人工智能与材料科学、化学及计算建模交叉领域的高影响力研究。

 

得益于与中国科学院东莞材料科学与技术研究所的合作支持,期刊目前实行钻石开放获取模式,所有发表费用均已覆盖。

  • 读者:可即时、免费获取全部前沿研究成果;
  • 作者:可免费发表研究文章。

 

本期内容包括:

  • 利用机器学习加速拉曼计算,用于研究固态电解质中的快速离子传导;
  • 基于MOSES框架的本体驱动多智能体化学知识推理;
  • 数据驱动的金属玻璃设计,实现实验与理论的更紧密结合;
  • 以及更多精彩内容……

 

>>欢迎点击此处链接,阅读完整内容。


亮点文章

Letter

Revealing fast ionic conduction in solid electrolytes through machine learning accelerated Raman calculations

Manuel Grumet, Takeru Miyagawa, Olivier Pittet, Paolo Pegolo, Karin S Thalmann, Waldemar Kaiser and David A Egger

Focus Issue on Machine Learning Potentials and Mapping of Atomic Structures

 

Topical Review

Towards intelligent design of metallic glasses: a data-driven pathway for closing the theory-experiment loop

Huanrong Liu, Shan Zhang, Qingan Li, Bin Xu, Jian Li and Pengfei Guan

 

Perspective

Learning atomic representations for data-driven materials design

Zhenyao Fang, Ting-Wei Hsu and Qimin Yan

Focus Issue on Machine Learning Potentials and Mapping of Atomic Structures

 

Papers

MOSES: combining automated ontology construction with a multi-agent system for explainable chemical knowledge reasoning

Yingkai Sun, Feiyang Xu, Huadong Liang, Xianghui Fan, Guozhu Wan, Wenwan Zhong, Jun Jiang, Xin Li and Linjiang Chen

 

Artificial intelligence driven workflow for accelerating design of novel photosensitizers

Hongyi Wang, Xiuli Zheng, Weimin Liu, Zitian Tang and Sheng Gong

 

Jigsaw-like knowledge graph generation: a study on generalization patterns with a LightRAG implementation

Da Long, Yabo Wang, Tian Li and Lifen Sun

 

Beyond Adam: disentangling optimizer effects in the fine-tuning of atomistic foundation models

Xiaoqing Liu, Yangshuai Wang and Teng Zhao

Focus Issue on Machine Learning Potentials and Mapping of Atomic Structures

 

A Pretrain-Finetune-Distill framework for machine learning force fields in doping engineering of solid-state electrolytes

Hongyu Wu, Ruoyu Wang, Xin Chen and Zhicheng Zhong

Focus Issue on Machine Learning Potentials and Mapping of Atomic Structures


期刊介绍

AI for Science

  • AI for Science是一本跨学科、国际同行评审的钻石开放获取期刊,致力于发表具有重大影响力的原创研究、综述和观点文章,聚焦人工智能(AI)在推动科学创新方面的变革性应用。本刊由IOP出版社和中国科学院东莞材料科学与技术研究所合办。