High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue von Sheberla, Dennis, Sun, Lei, Blood-Forsythe, Martin A, Er, Süleyman, Wade, Casey R, Brozek, Carl K, Aspuru-Guzik, Alán, Dincă, Mircea

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Learning from the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery von Pyzer-Knapp, Edward O., Li, Kewei, Aspuru-Guzik, Alan

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Inverse molecular design using machine learning: Generative models for matter engineering von Sanchez-Lengeling, Benjamin, Aspuru-Guzik, Alán

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Quantum computational chemistry von McArdle, Sam, Endo, Suguru, Aspuru-Guzik, Alan, Benjamin, Simon, Yuan, Xiao

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Scientific intuition inspired by machine learning-generated hypotheses von Friederich, Pascal, Krenn, Mario, Tamblyn, Isaac, Aspuru-Guzik, Alan

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Expressibility and Entangling Capability of Parameterized Quantum Circuits for Hybrid Quantum‐Classical Algorithms von Sim, Sukin, Johnson, Peter D., Aspuru‐Guzik, Alán

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Machine-learned potentials for next-generation matter simulations von Friederich, Pascal, Häse, Florian, Proppe, Jonny, Aspuru-Guzik, Alán

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Self‐Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning von Tao, Huachen, Wu, Tianyi, Kheiri, Sina, Aldeghi, Matteo, Aspuru‐Guzik, Alán, Kumacheva, Eugenia

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Neural Networks for the Prediction of Organic Chemistry Reactions von Wei, Jennifer N, Duvenaud, David, Aspuru-Guzik, Alán

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The theory of variational hybrid quantum-classical algorithms von McClean, Jarrod R, Romero, Jonathan, Babbush, Ryan, Aspuru-Guzik, Alán

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Language models can learn complex molecular distributions von Flam-Shepherd, Daniel, Zhu, Kevin, Aspuru-Guzik, Alán

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Quantum Chemistry in the Age of Quantum Computing von Cao, Yudong, Romero, Jonathan, Olson, Jonathan P, Degroote, Matthias, Johnson, Peter D, Kieferová, Mária, Kivlichan, Ian D, Menke, Tim, Peropadre, Borja, Sawaya, Nicolas P. D, Sim, Sukin, Veis, Libor, Aspuru-Guzik, Alán

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Reinforced Adversarial Neural Computer for de Novo Molecular Design von Putin, Evgeny, Asadulaev, Arip, Ivanenkov, Yan, Aladinskiy, Vladimir, Sanchez-Lengeling, Benjamin, Aspuru-Guzik, Alán, Zhavoronkov, Alex

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Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries von Wang, Qidi, Yao, Zhenpeng, Zhao, Chenglong, Verhallen, Tomas, Tabor, Daniel P., Liu, Ming, Ooms, Frans, Kang, Feiyu, Aspuru-Guzik, Alán, Hu, Yong-Sheng, Wagemaker, Marnix, Li, Baohua

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Beyond Ternary OPV: High‐Throughput Experimentation and Self‐Driving Laboratories Optimize Multicomponent Systems von Langner, Stefan, Häse, Florian, Perea, José Darío, Stubhan, Tobias, Hauch, Jens, Roch, Loïc M., Heumueller, Thomas, Aspuru‐Guzik, Alán, Brabec, Christoph J.

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Variational Quantum Generators: Generative Adversarial Quantum Machine Learning for Continuous Distributions von Romero, Jonathan, Aspuru‐Guzik, Alán

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Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules von Gómez-Bombarelli, Rafael, Wei, Jennifer N, Duvenaud, David, Hernández-Lobato, José Miguel, Sánchez-Lengeling, Benjamín, Sheberla, Dennis, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D, Adams, Ryan P, Aspuru-Guzik, Alán

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Revealing High Na-Content P2-Type Layered Oxides as Advanced Sodium-Ion Cathodes von Zhao, Chenglong, Yao, Zhenpeng, Wang, Qidi, Li, Haifeng, Wang, Jianlin, Liu, Ming, Ganapathy, Swapna, Lu, Yaxiang, Cabana, Jordi, Li, Baohua, Bai, Xuedong, Aspuru-Guzik, Alán, Wagemaker, Marnix, Chen, Liquan, Hu, Yong-Sheng

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Unveiling the TADF Emitters with Apparent Negative Singlet‐Triplet Gaps: Implications for Exciton Harvesting and OLED Performance von Chen, Xinrui, Bagnich, Sergey, Pollice, Robert, Li, Bing, Zhu, Yuanyuan, Saxena, Rishabh, Yin, Yixiao, Zhu, Weiguo, Aspuru‐Guzik, Alan, Zysman‐Colman, Eli, Köhler, Anna, Wang, Yafei

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Role of Quantum Coherence and Environmental Fluctuations in Chromophoric Energy Transport von Rebentrost, Patrick, Mohseni, Masoud, Aspuru-Guzik, Alán

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