Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions von Kim, Chiho, Chandrasekaran, Anand, Huan, Tran Doan, Das, Deya, Ramprasad, Rampi

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Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond von Mannodi-Kanakkithodi, Arun, Chandrasekaran, Anand, Kim, Chiho, Huan, Tran Doan, Pilania, Ghanshyam, Botu, Venkatesh, Ramprasad, Rampi

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Machine-learning predictions of polymer properties with Polymer Genome von Doan Tran, Huan, Kim, Chiho, Chen, Lihua, Chandrasekaran, Anand, Batra, Rohit, Venkatram, Shruti, Kamal, Deepak, Lightstone, Jordan P., Gurnani, Rishi, Shetty, Pranav, Ramprasad, Manav, Laws, Julia, Shelton, Madeline, Ramprasad, Rampi

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Mesoporous MoO3-x Material as an Efficient Electrocatalyst for Hydrogen Evolution Reactions von Luo, Zhu, Miao, Ran, Huan, Tran Doan, Mosa, Islam M., Poyraz, Altug S., Zhong, Wei, Cloud, Jacqueline E., Kriz, David A., Thanneeru, Srinivas, He, Junkai, Zhang, Yashan, Ramprasad, Rampi, Suib, Steven L.

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Electronic Structure of Polyethylene: Role of Chemical, Morphological and Interfacial Complexity von Chen, Lihua, Huan, Tran Doan, Ramprasad, Rampi

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Rational Co-Design of Polymer Dielectrics for Energy Storage von Mannodi-Kanakkithodi, Arun, Treich, Gregory M., Huan, Tran Doan, Ma, Rui, Tefferi, Mattewos, Cao, Yang, Sotzing, Gregory A., Ramprasad, Rampi

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Lead-free hybrid organic-inorganic perovskites for solar cell applications von Tuoc, Vu Ngoc, Huan, Tran Doan

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A universal strategy for the creation of machine learning-based atomistic force fields von Huan, Tran Doan, Batra, Rohit, Chapman, James, Krishnan, Sridevi, Chen, Lihua, Ramprasad, Rampi

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Charge injection barriers at metal/polyethylene interfaces von Chen, Lihua, Huan, Tran Doan, Quintero, Yenny Cardona, Ramprasad, Rampi

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Polyelectrolyte-Assisted Oxygen Vacancies: A New Route to Defect Engineering in Molybdenum Oxide von Yazdani, Sajad, Kashfi-Sadabad, Raana, Huan, Tran Doan, Morales-Acosta, Mayra Daniela, Pettes, Michael Thompson

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Low-energy polymeric phases of alanates von Huan, Tran Doan, Amsler, Maximilian, Marques, Miguel A L, Botti, Silvana, Willand, Alexander, Goedecker, Stefan

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Pathways towards ferroelectricity in hafnia von Huan, Tran Doan, Sharma, Vinit, Rossetti, George A., Ramprasad, Rampi

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Factors Favoring Ferroelectricity in Hafnia: A First-Principles Computational Study von Batra, Rohit, Huan, Tran Doan, Jones, Jacob L, Rossetti, George, Ramprasad, Rampi

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Theoretical prediction of low-density hexagonal ZnO hollow structures von Tuoc, Vu Ngoc, Huan, Tran Doan, Thao, Nguyen Thi, Tuan, Le Manh

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Accelerated materials property predictions and design using motif-based fingerprints von Huan, Tran Doan, Mannodi-Kanakkithodi, Arun, Ramprasad, Rampi

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Polymer Structure Prediction from First Principles von Huan, Tran Doan, Ramprasad, Rampi

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Novel structural motifs in low energy phases of LiAlH4 von Amsler, Maximilian, Flores-Livas, José A, Huan, Tran Doan, Botti, Silvana, Marques, Miguel A L, Goedecker, Stefan

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Role of Oxygen Vacancy Defects in the Electrocatalytic Activity of Substoichiometric Molybdenum Oxide von Kashfi-Sadabad, Raana, Yazdani, Sajad, Huan, Tran Doan, Cai, Zhao, Pettes, Michael Thompson

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Dopants Promoting Ferroelectricity in Hafnia: Insights from a comprehensive Chemical Space Exploration von Batra, Rohit, Huan, Tran Doan, Rossetti, George A, Ramprasad, Rampi

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A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap von Patra, Abhirup, Batra, Rohit, Chandrasekaran, Anand, Kim, Chiho, Huan, Tran Doan, Ramprasad, Rampi

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