机构

• 力学研究所 [6]
• 上海药物研究所 [3]
• 大连化学物理研究所 [3]
• 计算技术研究所 [2]
• 化学研究所 [2]
• 过程工程研究所 [2]
• 更多

采集方式

• OAI收割 [34]
• iSwitch采集 [2]

内容类型

• 期刊论文 [35]
• 学位论文 [1]

发表日期

• 2025 [1]
• 2024 [3]
• 2023 [1]
• 2022 [6]
• 2021 [7]
• 2020 [2]
• 更多

学科主题

• Physics [1]
• 超分子催化 [1]

筛选

浏览/检索结果: 共36条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Equivariance is essential, local representation is a need: A comprehensive and critical study of machine learning potentials for tobermorite phases 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2025, 卷号: 246, 页码: 14 作者:  Zhu, Keming;  Zhang, Zhibin   |  收藏  |   Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  收藏  |   An effective global biochar application strategy for reducing global cropland nitrogen emissions without compromising crop yield: Findings from a global meta-analysis and density functional theory calculation 期刊论文  OAI收割 ENVIRONMENTAL TECHNOLOGY & INNOVATION, 2024, 卷号: 33, 页码: 17 作者:  He, Debo;  Dong, Zhixin;  Zhu, Bo   |  收藏  |   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |   Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field 期刊论文  OAI收割 JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8 作者:  Ling, Yulong;  Li, Kun;  Wang, Mi;  Lu, Junfeng;  Wang, Chenlu   |  收藏  |   A Review of Deep Learning Application on Drug Activity Prediction 期刊论文  OAI收割 PROGRESS IN BIOCHEMISTRY AND BIOPHYSICS, 2022, 卷号: 49, 期号: 8, 页码: 1498-1519 作者:  Liu Li-Mei;  Chen Xiao-Jin;  Sun Shi-Wei;  Wang Yu;  Wang Hui   |  收藏  |   A support vector machine framework for fault detection in molecular pump 期刊论文  OAI收割 JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 2022 作者:  Yuan, X. L.;  Kai, J.;  Chen, Y.;  Zuo, G. Z.;  Zhuang, H. D.   |  收藏  |   A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文  OAI收割 APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13 作者:  He, Yuyang;  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang   |  收藏  |   A review of machine learning in geochemistry and cosmochemistry: Method improvements and applications 期刊论文  OAI收割 APPLIED GEOCHEMISTRY, 2022, 卷号: 140, 页码: 13 作者:  He, Yuyang;  Zhou, You;  Wen, Tao;  Zhang, Shuang;  Huang, Fang   |  收藏  |   SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168 作者:  Huang, Yu-Peng;  Xia, Yijie;  Yang, Lijiang;  Wei, Jiachen;  Yang, Yi Isaac   |  收藏  |