VASP Agent: An Agentic Framework for Autonomous First-principles Calculations
VASP智能体:一种用于自主第一性原理计算的智能框架
Zeyu Xia, Jinzhe Ma, Congjie Zheng, Zhongyao Wang, Shufei Zhang, Yuqiang Li, Hang Su, P. Hu, Changshui Zhang, Xingao Gong, Wanli Ouyang, Lei Bai, Dongzhan Zhou, Mao Su
机构
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Shanghai Artificial Intelligence Laboratory(上海人工智能实验室)
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Department of Computer Science and Technology(计算机科学与技术系)
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School of Physical Science and Technology(物理科学与技术学院)
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Department of Automation(自动化系)
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Beijing National Research Center for Information Science and Technology (BNRist)(北京信息科学与技术国家研究中心)
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School of Chemistry and Chemical Engineering(化学与化工学院)
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Key Laboratory of Computational Physical Sciences (Ministry of Education)(计算物理科学重点实验室)
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The Chinese University of Hong Kong(香港中文大学)
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Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences(中国科学院深圳先进技术研究所)
Lorenzo Steccanella, Joshua B. Evans, Özgür Şimşek, Anders Jonsson
机构
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Department of Information and Communication Technologies, Universitat Pompeu Fabra(信息与通信技术系,庞培法华大学)
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Department of Computer Science, University of Bath(计算机科学系,巴斯大学)