中国科学院计算技术研究所机构知识库

浏览/检索结果: 共35条，第1-10条

帮助

已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序期刊影响因子升序期刊影响因子降序发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序WOS被引频次升序WOS被引频次降序
	DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 卷号: 21, 期号: 9, 页码: 4375-4385 作者:  Zeng, Jinzhe;  Zhang, Duo;  Peng, Anyang;  Zhang, Xiangyu;  He, Sensen;  Wang, Yan;  Liu, Xinzijian;  Bi, Hangrui;  Li, Yifan;  Cai, Chun;  Zhang, Chengqian;  Du, Yiming;  Zhu, Jia-Xin;  Mo, Pinghui;  Huang, Zhengtao;  Zeng, Qiyu;  Shi, Shaochen;  Qin, Xuejian;  Yu, Zhaoxi;  Luo, Chenxing;  Ding, Ye;  Liu, Yun-Pei;  Shi, Ruosong;  Wang, Zhenyu;  Bore, Sigbjorn Loland;  Chang, Junhan;  Deng, Zhe;  Ding, Zhaohan;  Han, Siyuan;  Jiang, Wanrun;  Ke, Guolin;  Liu, Zhaoqing;  Lu, Denghui;  Muraoka, Koki;  Oliaei, Hananeh;  Singh, Anurag Kumar;  Que, Haohui;  Xu, Weihong;  Xu, Zhangmancang;  Zhuang, Yong-Bin;  Dai, Jiayu;  Giese, Timothy J.;  Jia, Weile;  Xu, Ben;  York, Darrin M.;  Zhang, Linfeng;  Wang, Han 收藏  |  浏览/下载：5/0  |  提交时间：2025/06/25
	Bridging the Gap between Transformer-Based Neural Networks and Tensor Networks for Quantum Chemistry 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 页码: 14 作者:  Kan, Bowen;  Tian, Yingqi;  Wu, Yangjun;  Zhang, Yunquan;  Shang, Honghui 收藏  |  浏览/下载：2/0  |  提交时间：2025/06/25
	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：24/0  |  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：24/0  |  提交时间：2024/05/20
	PepPre: Promote Peptide Identification Using Accurate and Comprehensive Precursors 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2023, 卷号: 23, 期号: 2, 页码: 574-584 作者:  Tarn, Ching;  Wu, Yu-Zhuo;  Wang, Kai-Fei 收藏  |  浏览/下载：31/0  |  提交时间：2024/05/20 mass spectrometry  peptide identification  precursor ion detection  deisotope  linear programming
	Comparative Analysis of Chemical Cross-Linking Mass Spectrometry Data Indicates That Protein STY Residues Rarely React with N-Hydroxysuccinimide Ester Cross-Linkers 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2023, 卷号: 22, 期号: 8, 页码: 2593-2607 作者:  Cao, Yong;  Liu, Xin-Tong;  Mao, Peng-Zhi;  Chen, Zhen-Lin;  Tarn, Ching;  Dong, Meng-Qiu 收藏  |  浏览/下载：35/0  |  提交时间：2023/12/04 CXMS  XL-MS  NHS ester cross-linker  pLink  xiSearch  MeroX
	High-Speed Optical Mode Switch in Lithium Niobate on Insulator 期刊论文 ACS PHOTONICS, 2023, 页码: 7 作者:  Jiang, Yongheng;  Han, Xu;  Li, Yiyang;  Xiao, Huifu;  Huang, Haijin;  Zhang, Pu;  Dubey, Aditya;  Yuan, Mingrui;  Nguyen, Thach Giang;  Boes, Andreas;  Li, Yingtao;  Ren, Guanghui;  Xue, Jiuzhi;  Hao, Qinfen;  Su, Yikai;  Mitchell, Arnan;  Tian, Yonghui 收藏  |  浏览/下载：40/0  |  提交时间：2023/07/12 Optical mode switch  Lithium niobate on insulator (LNOI)  Silicon nitride  Mode-division-multiplexing (MDM)
	GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy 期刊论文 ANALYTICAL CHEMISTRY, 2022, 页码: 9 作者:  Huang, Chuncui;  Hou, Meijie;  Yan, Jingyu;  Wang, Hui;  Wang, Yu;  Cao, Cuiyan;  Wang, Yaojun;  Gao, Huanyu;  Ma, Xinyue;  Zheng, Yi;  Bu, Dongbo;  Chai, Wengang;  Li, Yan;  Sun, Shiwei 收藏  |  浏览/下载：46/0  |  提交时间：2023/07/12
	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：46/0  |  提交时间：2022/12/07
	pDeepXL: MS/MS Spectrum Prediction for Cross-Linked Peptide Pairs by Deep Learning 期刊论文 JOURNAL OF PROTEOME RESEARCH, 2021, 卷号: 20, 期号: 5, 页码: 2570-2582 作者:  Chen, Zhen-Lin;  Mao, Peng-Zhi;  Zeng, Wen-Feng;  Chi, Hao;  He, Si-Min 收藏  |  浏览/下载：67/0  |  提交时间：2021/12/01 cross-linking mass spectrometry  spectrum prediction  deep learning  transfer learning  online fine-tuning