中国科学院计算技术研究所机构知识库

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	Accurate Calculation of Interatomic Forces with Neural Networks Based on a Generative Transformer Architecture 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 页码: 10 作者:  Lai, Juntao;  Kan, Bowen;  Wu, Yangjun;  Fu, Qiang;  Shang, Honghui;  Li, Zhenyu;  Yang, Jinlong 收藏  |  浏览/下载：1/0  |  提交时间：2024/12/06
	Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 卷号: 20, 期号: 2, 页码: 775-786 作者:  Xiang, Chunyang;  Jia, Weile;  Fang, Wei-Hai;  Li, Zhendong 收藏  |  浏览/下载：10/0  |  提交时间：2024/05/20
	Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 页码: 15 作者:  Tahir, Muhammad N.;  Zhu, Tong;  Shang, Honghui;  Li, Jia;  Blum, Volker;  Ren, Xinguo 收藏  |  浏览/下载：27/0  |  提交时间：2022/12/07