Synthesis and Benzene Hydroxylation Properties of Amino Substituted [FeFe]-Hydrogenase Model Compounds von Zhang, Xia, Liu, Lihong, Li, Yingzhou

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Octagold selenido nanoclusters: Significance of surface ligands on tuning geometric and electronic structure of Au8Se2 kernel von Zhang, Shanshan, Li, Yingzhou, Feng, Lei, Xue, Qingwang, Gao, Zhiyong, Tung, Chenho, Sun, Di

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Resource Efficient Boolean Function Solver on Quantum Computer von Li, Xiang, Shen, Hanxiang, Gao, Weiguo, Li, Yingzhou

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The CECAM electronic structure library and the modular software development paradigm von Oliveira, Micael J. T., Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M., García, Alberto, García-Suárez, Víctor M., Genovese, Luigi, Huhn, William P., Huhs, Georg, Kokott, Sebastian, Küçükbenli, Emine, Larsen, Ask H., Lazzaro, Alfio, Lebedeva, Irina V., Li, Yingzhou, López-Durán, David, López-Tarifa, Pablo, Lüders, Martin, Marques, Miguel A. L., Minar, Jan, Mohr, Stephan, Mostofi, Arash A., O’Cais, Alan, Payne, Mike C., Ruh, Thomas, Smith, Daniel G. A., Soler, José M., Strubbe, David A., Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe

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Distributed-memory hierarchical interpolative factorization von Li, Yingzhou, Ying, Lexing

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Strong Catalyst–Support Interactions in Electrochemical Oxygen Evolution on Ni–Fe Layered Double Hydroxide von Gu, Haoyang, Shi, Guoshuai, Chen, Hsiao-Chien, Xie, Songhai, Li, Yingzhou, Tong, Haonan, Yang, Chunlei, Zhu, Chenyuan, Mefford, J. Tyler, Xia, Heyi, Chueh, William C, Chen, Hao Ming, Zhang, Liming

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Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget von Li, Yingzhou, Lu, Jianfeng

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Interpolative Butterfly Factorization von Li, Yingzhou, Yang, Haizhao

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Coordinate Descent Full Configuration Interaction von Wang, Zhe, Li, Yingzhou, Lu, Jianfeng

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Multi‐Modal Chiral Superstructures in Self‐Assembled Anthracene‐Terminal Amino Acids with Predictable and Adjustable Chiroptical Activities and Color Evolution von Wang, Zhuoer, Li, Yingzhou, Hao, Aiyou, Xing, Pengyao

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Optimal Orbital Selection for Full Configuration Interaction (OptOrbFCI): Pursuing the Basis Set Limit under a Budget von Li, Yingzhou, Lu, Jianfeng

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Variational training of neural network approximations of solution maps for physical models von Li, Yingzhou, Lu, Jianfeng, Mao, Anqi

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Improving the Accuracy of Variational Quantum Eigensolvers with Fewer Qubits Using Orbital Optimization von Bierman, Joel, Li, Yingzhou, Lu, Jianfeng

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Qubit Count Reduction by Orthogonally Constrained Orbital Optimization for Variational Quantum Excited-State Solvers von Bierman, Joel, Li, Yingzhou, Lu, Jianfeng

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Weighted Trace-Penalty Minimization for Full Configuration Interaction von Gao, Weiguo, Li, Yingzhou, Shen, Hanxiang

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3-Carbaldehyde-substituted 2,3′-biimidazo[1,2- a]pyridin-2′-one radicals: Interesting π-stacking structures and magnetic properties von Li, Yingzhou, Yong, Guoping, Zhang, Yiman, Li, Chongfu, She, Wenlong

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Experimental investigation of nitrogen isotopic effects associated with ammonia degassing at 0–70 °C von Deng, Yuying, Li, Yingzhou, Li, Long

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Quantum Orbital Minimization Method for Excited States Calculation on a Quantum Computer von Bierman, Joel, Li, Yingzhou, Lu, Jianfeng

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On the Global Convergence of Randomized Coordinate Gradient Descent for Nonconvex Optimization von Chen, Ziang, Li, Yingzhou, Lu, Jianfeng

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The zwitterionic radical and its neutral radical derivative with interesting magnetic properties von Zhang, Yiman, Yong, Guoping, Li, Chongfu, She, Wenlong, Li, Yingzhou

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