Showing 1 - 20 results of 24 for search 'Gómez-Bombarelli, Rafael', query time: 0.03s
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Coarse-graining auto-encoders for molecular dynamics by Wang, Wujie, Gomez-Bombarelli, Rafael
Published 2020
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Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks by Jensen, Zach, Kwon, Soonhyoung, Schwalbe-Koda, Daniel, Paris, Cecilia, Gómez-Bombarelli, Rafael, Román-Leshkov, Yuriy, Corma, Avelino, Moliner, Manuel, Olivetti, Elsa A
Published 2021
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Turbocharged molecular discovery of OLED emitters: from high-throughput quantum simulation to highly efficient TADF devices by Gómez-Bombarelli, Rafael, Aguilera-Iparraguirre, Jorge, Hirzel, Timothy D., Aspuru-Guzik, Alán, Ha, Dong-Gwang, Einzinger, Markus, Wu, Tony C, Baldo, Marc A
Published 2017
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Deep learning to design nuclear-targeting abiotic miniproteins by Schissel, Carly K, Mohapatra, Somesh, Wolfe, Justin M, Fadzen, Colin M, Bellovoda, Kamela, Wu, Chia-Ling, Wood, Jenna A, Malmberg, Annika B, Loas, Andrei, Gómez-Bombarelli, Rafael, Pentelute, Bradley L
Published 2022
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Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethylene Glycol-Based Lithium Electrolytes by Qiao, Bo, Mohapatra, Somesh, Lopez, Jeffrey Frank, Leverick, Graham M., Tatara, Ryoichi, Shibuya, Yoshiki, Jiang, Yivan, France-Lanord, Arthur, Grossman, Jeffrey C., Gómez-Bombarelli, Rafael, Johnson, Jeremiah A., Shao-Horn, Yang
Published 2021
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Synthetic Glycomacromolecules of Defined Valency, Absolute Configuration, and Topology Distinguish between Human Lectins by Hartweg, Manuel, Jiang, Yivan, Yilmaz, Gokhan, Jarvis, Cassie M, Nguyen, Hung V-T, Primo, Gastón A, Monaco, Alessandra, Beyer, Valentin P, Chen, Kathleen K, Mohapatra, Somesh, Axelrod, Simon, Gómez-Bombarelli, Rafael, Kiessling, Laura L, Becer, C Remzi, Johnson, Jeremiah A
Published 2022
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Combining density functional theory and machine learning for optimization of multicomponent oxide electrocatalysts by Karaguesian, Jessica
Published 2023Other Authors: “…Gómez-Bombarelli, Rafael…”
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First-principles control of zeolite synthesis, transformations, and intergrowth by Schwalbe Koda, Daniel
Published 2023Other Authors: “…Gómez-Bombarelli, Rafael…”
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