中国科学院计算技术研究所机构知识库

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	NNQS-AFQMC: Neural Network Quantum States Enhanced Fermionic Quantum Monte Carlo 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2025, 卷号: 21, 期号: 19, 页码: 9587-9600 作者:  Xiao, Zhi-Yu;  Kan, Bowen;  Ma, Huan;  Zhao, Bowen;  Shang, Honghui 收藏  |  浏览/下载：4/0  |  提交时间：2025/12/03
	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
	Exploring electron-phonon coupling using quantum computing methods 期刊论文 PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 12, 页码: 13 作者:  Zhou, Pengyu;  Shang, Honghui 收藏  |  浏览/下载：30/0  |  提交时间：2024/12/06 variational quantum algorithms  quantum equation of motion  electron-phonon interaction
	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：64/0  |  提交时间：2024/12/06
	Solving the Electronic Schr?dinger Equation by Pairing Tensor-Network State with Neural Network Quantum State 期刊论文 MATHEMATICS, 2024, 卷号: 12, 期号: 3, 页码: 16 作者:  Kan, Bowen;  Tian, Yingqi;  Xie, Daiyou;  Wu, Yangjun;  Fan, Yi;  Shang, Honghui 收藏  |  浏览/下载：43/0  |  提交时间：2024/05/20 quantum mechanics  neural network quantum state  high-performance simulations  strongly correlated materials  81-10
	Differentiable matrix product states for simulating variational quantum computational chemistry 期刊论文 QUANTUM, 2023, 卷号: 7, 页码: 15 作者:  Guo, Chu;  Fan, Yi;  Xu, Zhiqian;  Shang, Honghui 收藏  |  浏览/下载：34/0  |  提交时间：2024/05/20
	Redesigning OpenKMC for Multi-Component Trillion-Atom Simulations on the New Sunway Supercomputer 期刊论文 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2023, 卷号: 34, 期号: 7, 页码: 1997-2010 作者:  Xu, Lei;  Shang, Honghui;  Chen, Xin;  Zhang, Yunquan;  Wang, Lifang;  Gao, Xingyu;  Song, Haifeng 收藏  |  浏览/下载：46/0  |  提交时间：2023/12/04 Metals  Computational modeling  Monte Carlo methods  Kinetic theory  Aging  Steel  Silicon  Atomic kinetic Monte Carlo  many-core processor  scalability