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Wiley Interdisciplinary Reviews and Computational Molecular Science

IF27
论文数653
被引数12179
期刊论文 653
发表时间
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ByteQC: GPU-Accelerated Quantum Chemistry Package for Large-Scale SystemsByteQC: 用于大规模系统的GPU加速量子化学软件包
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-28
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PREAI
deleteZhen Guo; Zigeng Huang; Qiaorui Chen; Jiang Shao; Guangcheng Liu; Hung Q. Pham; Yifei Huang; Changsu Cao; Ji Chen; Dingshun Lv
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Floquet Nonadiabatic Dynamics in Open Quantum Systems: Overview开放量子系统中的弗洛quet非绝热动力学：概述
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-28
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PREAI
deleteVahid Mosallanejad; Yu Wang; Jingqi Chen; Wenjie Dou
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Computation of Time-Resolved Nonlinear Electronic Spectra From Classical Trajectories从经典轨迹计算时间分辨的非线性电子光谱
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-20
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deleteMaxim F. Gelin; Zhenggang Lan; Nađa Došlić; Wolfgang Domcke
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Current Advances in Genome Modeling Across Length Scales不同尺度下基因组建模的当前进展
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-20
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deleteEric R. Schultz; Jay L. Kaplan; Yiheng Wu; Soren Kyhl; Rebecca Willett; Juan J. de Pablo
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Theoretical Studies of Molecular Reactions at the Air-Water Interface: Recent Progress and Perspective空气-水界面分子反应的理论研究：最新进展与展望
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-20
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PREAI
deleteJing Kang; Shixuan Wang; Chenruyuan Li; Guichuan Cao; Xinyue Gong; Chongqin Zhu
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Quantum Algorithms for Quantum Molecular Systems: A Survey量子分子系统的量子算法: 综述
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-05-19
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deleteYukun Zhang; Xiaoming Zhang; Jinzhao Sun; Heng Lin; Yifei Huang; Dingshun Lv; Xiao Yuan
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Software Update: The ORCA Program System-Version 6.0软件更新: ORCA程序系统-版本6.0
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-28
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deleteNeese, F
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Multiscale Simulations and Property Predictions for Organic Luminescent Aggregates多尺度模拟与有机发光聚集体的性质预测
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-28
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PREAI
deleteZheng, Xiaoyan
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Everything You Want to Know About Coarse-Graining and Never Dared to Ask: Macromolecules as a Key Example关于粗粒化方法你想了解的一切却从未敢问：以大分子为例
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-23
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deleteGuenza, Marina G.
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Recent Progresses in Two-Dimensional Carbon-Metal Composites for Catalysis Applications二维碳-金属复合材料催化应用的最新进展
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-16
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PREAI
deleteZhang, Yongjie; Yam, Kah-Meng; Wang, Hao; Guo, Na; Zhang, Chun
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Multireference Coupled-Cluster Theory: The Internally Contracted Route多参考组态相互作用-簇理论：内部收缩途径
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-15
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deleteAdam, Robert G.; Waigum, Alexander
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Dissipative Particle Dynamics Modeling in Polymer Science and Engineering聚合物科学与工程中的耗散粒子动力学建模
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-04-15
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deleteNikkhah, Sousa Javan
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From Traditional Methods to Deep Learning Approaches: Advances in Protein-Protein Docking从传统方法到深度学习方法: 蛋白质-蛋白质对接的进展
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-24
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PREAI
deleteJiang, Linlong; Zhang, Ke; Zhu, Kai; Zhang, Hui; Shen, Chao
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Rational Proteolysis Targeting Chimera Design Driven by Molecular Modeling and Machine Learning分子建模和机器学习驱动的理性蛋白水解靶向嵌合体设计
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-24
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PREAI
deleteTan, Shuoyan; Chen, Zhenglu; Lu, Ruiqiang
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Deep Learning Quantum Monte Carlo for Solids深度学习量子蒙特卡洛方法用于固体研究
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-24
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PREAI
deleteQian, Yubing; Li, Xiang; Li, Zhe; Ren, Weiluo
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Spillover Dynamics in Heterogeneous Catalysis on Singe-Atom Alloys: A Theoretical Perspective单原子合金上异相催化中的溢出动力学：理论视角
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-24
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PREAI
deleteLin, Sutao; Xiong, Rui
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The Future of Catalysis: Applying Graph Neural Networks for Intelligent Catalyst Design催化技术的未来：应用图神经网络进行智能催化剂设计
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-24
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PREAI
deleteWang, Zhihao; Li, Wentao; Wang, Siying
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Enhancing GPU-Acceleration in the Python-Based Simulations of Chemistry Frameworks在基于Python的化学框架仿真中增强GPU加速
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-23
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PREAI
deleteWu, Xiaojie; Sun, Qiming; Pu, Zhichen; Zheng, Tianze; Ma, Wenzhi; Yan, Wen; Xia, Yu; Wu, Zhengxiao; Huo, Mian; Li, Xiang; Ren, Weiluo; Gong, Sheng; Zhang, Yumin; Gao, Weihao
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Enhancing Molecular Dynamics Simulations of Electrical Double Layers: From Simplified to Realistic Models增强电双层分子动力学模拟：从简化模型到真实模型
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-23
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PREAI
deleteZeng, Liang; Ji, Xiangyu; Zhang, Jinkai; Huang, Nan; Yu, Ding; Peng, Jiaxing
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Advances and Challenges of SCAN and r2SCAN Density Functionals in Transition-Metal Compounds过渡金属化合物中SCAN和r2SCAN密度泛函的研究进展与挑战
deleteWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
delete2025-03-23
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PREAI
deleteZhang, Yubo; Ramasamy, Akilan; Pokharel, Kanun; Kothakonda, Manish; Furness, James W.; Ning, Jinliang; Zhang, Ruiqi; Sun, Jianwei
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