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Wiley Interdisciplinary Reviews and Computational Molecular Science
IF
27
Papers
668
Citations
12179
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Journal Papers
653
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Journal Papers
653
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Citations
ByteQC: GPU-Accelerated Quantum Chemistry Package for Large-Scale Systems
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-28
0
PRE
AI
Zhen 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-28
0
PRE
AI
Vahid Mosallanejad; Yu Wang; Jingqi Chen; Wenjie Dou
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Computation of Time-Resolved Nonlinear Electronic Spectra From Classical Trajectories
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-20
0
OA
AI
Maxim F. Gelin; Zhenggang Lan; Nađa Došlić; Wolfgang Domcke
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Current Advances in Genome Modeling Across Length Scales
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-20
0
OA
AI
Eric 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-20
0
PRE
AI
Jing Kang; Shixuan Wang; Chenruyuan Li; Guichuan Cao; Xinyue Gong; Chongqin Zhu
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Quantum Algorithms for Quantum Molecular Systems: A Survey
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-05-19
0
OA
AI
Yukun 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-28
1
OA
AI
Neese, F
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Multiscale Simulations and Property Predictions for Organic Luminescent Aggregates
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-28
0
PRE
AI
Zheng, Xiaoyan
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Everything You Want to Know About Coarse-Graining and Never Dared to Ask: Macromolecules as a Key Example
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-23
0
OA
AI
Guenza, Marina G.
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Recent Progresses in Two-Dimensional Carbon-Metal Composites for Catalysis Applications
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-16
0
PRE
AI
Zhang, Yongjie; Yam, Kah-Meng; Wang, Hao; Guo, Na; Zhang, Chun
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Multireference Coupled-Cluster Theory: The Internally Contracted Route
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-15
0
OA
AI
Adam, Robert G.; Waigum, Alexander
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Dissipative Particle Dynamics Modeling in Polymer Science and Engineering
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-04-15
0
OA
AI
Nikkhah, Sousa Javan
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From Traditional Methods to Deep Learning Approaches: Advances in Protein-Protein Docking
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-24
0
PRE
AI
Jiang, 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-24
0
PRE
AI
Tan, Shuoyan; Chen, Zhenglu; Lu, Ruiqiang
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Deep Learning Quantum Monte Carlo for Solids
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-24
0
PRE
AI
Qian, Yubing; Li, Xiang; Li, Zhe; Ren, Weiluo
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Spillover Dynamics in Heterogeneous Catalysis on Singe-Atom Alloys: A Theoretical Perspective
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-24
0
PRE
AI
Lin, Sutao; Xiong, Rui
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The Future of Catalysis: Applying Graph Neural Networks for Intelligent Catalyst Design
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-24
0
PRE
AI
Wang, Zhihao; Li, Wentao; Wang, Siying
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Enhancing GPU-Acceleration in the Python-Based Simulations of Chemistry Frameworks
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-23
0
PRE
AI
Wu, 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-23
0
PRE
AI
Zeng, 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
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF
27
2025-03-23
0
PRE
AI
Zhang, Yubo; Ramasamy, Akilan; Pokharel, Kanun; Kothakonda, Manish; Furness, James W.; Ning, Jinliang; Zhang, Ruiqi; Sun, Jianwei
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