中国科学院计算技术研究所机构知识库

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	Recent implementations in kylin 1.3: Improved computational efficiency of ab initio DMRG and a spin-adapted version of EC-MRCI 期刊论文 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2025, 卷号: 38, 期号: 4, 页码: 447-456 作者:  Song, Yinxuan;  Tian, Yingqi;  Cheng, Yifan;  Ma, Haibo 收藏  |  浏览/下载：3/0  |  提交时间：2025/12/03 Quantum chemistry program  Density matrix renormalization group  Strong correlation  Multi-reference
	Fast and Scalable Neural Network Quantum States Method for Molecular Potential Energy Surfaces 期刊论文 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2025, 卷号: 36, 期号: 7, 页码: 1431-1443 作者:  Wu, Yangjun;  Cao, Wanlu;  Zhao, Jiacheng;  Shang, Honghui 收藏  |  浏览/下载：4/0  |  提交时间：2025/12/03 Artificial neural networks  Computational efficiency  Training  Wave functions  Quantum state  Computational modeling  Optimization  Electrons  Convergence  Potential energy  Quantum computational chemistry  many-body Schr & ouml  neural network quantum state  transformer based architecture  autoregressive sampling  potential energy surfaces  dinger equation
	MPS-VQE: A variational quantum computational chemistry simulator with matrix product states 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2024, 卷号: 294, 页码: 9 作者:  Xu, Zhiqian;  Fan, Yi;  Guo, Chu;  Shang, Honghui 收藏  |  浏览/下载：52/0  |  提交时间：2023/12/04 Quantum computing  Variational quantum eigensolver  Matrix product state  Quantum chemistry  Parallel scalability