Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis von Welborn, Matthew, Cheng, Lixue, Miller, Thomas F

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A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules von Cheng, Lixue, Welborn, Matthew, Christensen, Anders S., Miller, Thomas F.

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Bootstrap embedding: An internally consistent fragment-based method von Welborn, Matthew, Tsuchimochi, Takashi, Van Voorhis, Troy

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Solid-state infrared-to-visible upconversion sensitized by colloidal nanocrystals von Wu, Mengfei, Congreve, Daniel N., Wilson, Mark W. B., Jean, Joel, Geva, Nadav, Welborn, Matthew, Van Voorhis, Troy, Bulović, Vladimir, Bawendi, Moungi G., Baldo, Marc A.

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Density matrix embedding in an antisymmetrized geminal power bath von Tsuchimochi, Takashi, Welborn, Matthew, Van Voorhis, Troy

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Incremental embedding: A density matrix embedding scheme for molecules von Ye, Hong-Zhou, Welborn, Matthew, Ricke, Nathan D., Van Voorhis, Troy

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Molecular-Level Insights into Oxygen Reduction Catalysis by Graphite-Conjugated Active Sites von Ricke, Nathan D, Murray, Alexander T, Shepherd, James J, Welborn, Matthew G, Fukushima, Tomohiro, Van Voorhis, Troy, Surendranath, Yogesh

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A single-cell atlas of bovine skeletal muscle reveals mechanisms regulating intramuscular adipogenesis and fibrogenesis von Wang, Leshan, Gao, Peidong, Li, Chaoyang, Liu, Qianglin, Yao, Zeyang, Li, Yuxia, Zhang, Xujia, Sun, Jiangwen, Simintiras, Constantine, Welborn, Matthew, McMillin, Kenneth, Oprescu, Stephanie, Kuang, Shihuan, Fu, Xing

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Band‐like Charge Photogeneration at a Crystalline Organic Donor/Acceptor Interface von Fusella, Michael A., Brigeman, Alyssa N., Welborn, Matthew, Purdum, Geoffrey E., Yan, Yixin, Schaller, Richard D., Lin, YunHui L., Loo, Yueh‐Lin, Voorhis, Troy Van, Giebink, Noel C., Rand, Barry P.

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A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation von Dai, Peng, Williams, Jonathan K., Zhang, Chi, Welborn, Matthew, Shepherd, James J., Zhu, Tianyu, Van Voorhis, Troy, Hong, Mei, Pentelute, Bradley L.

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Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO2 Reduction von Chapovetsky, Alon, Welborn, Matthew, Luna, John M, Haiges, Ralf, Marinescu, Smaranda C

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A combined density functional and x-ray diffraction study of Pt nanoparticle structure von Welborn, Matthew, Tang, Wenjie, Ryu, Jihoon, Petkov, Valeri, Henkelman, Graeme

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Energy harvesting of non-emissive triplet excitons in tetracene by emissive PbS nanocrystals von Thompson, Nicholas J., Wilson, Mark W. B., Congreve, Daniel N., Brown, Patrick R., Scherer, Jennifer M., Bischof, Thomas S., Wu, Mengfei, Geva, Nadav, Welborn, Matthew, Voorhis, Troy Van, Bulović, Vladimir, Bawendi, Moungi G., Baldo, Marc A.

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Salt Effect Accelerates Site-Selective Cysteine Bioconjugation von Dai, Peng, Zhang, Chi, Welborn, Matthew, Shepherd, James J, Zhu, Tianyu, Van Voorhis, Troy, Pentelute, Bradley L

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OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features von Qiao, Zhuoran, Welborn, Matthew, Anandkumar, Animashree, Manby, Frederick R., Miller, Thomas F.

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Lock-and-Key Exciplexes for Thermally Activated Delayed Fluorescence von Voll, Constantin-Christian A., Markopoulos, Georgios, Wu, Tony C., Welborn, Matthew, Engelhart, Jens U., Rochat, Sébastien, Han, Grace G. D., Sazama, Graham T., Lin, Ting-An, Van Voorhis, Troy, Baldo, Marc A., Swager, Timothy M.

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Informing geometric deep learning with electronic interactions to accelerate quantum chemistry von Qiao, Zhuoran, Christensen, Anders S., Welborn, Matthew, Manby, Frederick R., Anandkumar, Anima, Miller, Thomas F.

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π-Clamp-mediated cysteine conjugation von Zhang, Chi, Welborn, Matthew, Zhu, Tianyu, Yang, Nicole J., Santos, Michael S., Van Voorhis, Troy, Pentelute, Bradley L.

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Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning von Cheng, Lixue, Kovachki, Nikola B, Welborn, Matthew, Miller, Thomas F

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Projection-Based Wavefunction-in-DFT Embedding von Lee, Sebastian J. R, Welborn, Matthew, Manby, Frederick R, Miller, Thomas F

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