Machine learned features from density of states for accurate adsorption energy prediction von Fung, Victor, Hu, Guoxiang, Ganesh, P., Sumpter, Bobby G.

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A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes von Huang, Jingsong, Sumpter, Bobby G., Meunier, Vincent

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Electronic Bandgap and Edge Reconstruction in Phosphorene Materials von Liang, Liangbo, Wang, Jun, Lin, Wenzhi, Sumpter, Bobby G, Meunier, Vincent, Pan, Minghu

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Benchmarking graph neural networks for materials chemistry von Fung, Victor, Zhang, Jiaxin, Juarez, Eric, Sumpter, Bobby G.

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Theoretical Model for Nanoporous Carbon Supercapacitors von Huang, Jingsong, Sumpter, Bobby G, Meunier, Vincent

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Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials von Liang, Liangbo, Zhang, Jun, Sumpter, Bobby G, Tan, Qing-Hai, Tan, Ping-Heng, Meunier, Vincent

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Recent Advances in Two-Dimensional Materials beyond Graphene von Bhimanapati, Ganesh R, Lin, Zhong, Meunier, Vincent, Jung, Yeonwoong, Cha, Judy, Das, Saptarshi, Xiao, Di, Son, Youngwoo, Strano, Michael S, Cooper, Valentino R, Liang, Liangbo, Louie, Steven G, Ringe, Emilie, Zhou, Wu, Kim, Steve S, Naik, Rajesh R, Sumpter, Bobby G, Terrones, Humberto, Xia, Fengnian, Wang, Yeliang, Zhu, Jun, Akinwande, Deji, Alem, Nasim, Schuller, Jon A, Schaak, Raymond E, Terrones, Mauricio, Robinson, Joshua A

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Transition-Metal Substitution Doping in Synthetic Atomically Thin Semiconductors von Gao, Jian, Kim, Young Duck, Liang, Liangbo, Idrobo, Juan Carlos, Chow, Phil, Tan, Jiawei, Li, Baichang, Li, Lu, Sumpter, Bobby G., Lu, Toh-Ming, Meunier, Vincent, Hone, James, Koratkar, Nikhil

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Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite von Liu, Yongtao, Collins, Liam, Proksch, Roger, Kim, Songkil, Watson, Brianna R., Doughty, Benjamin, Calhoun, Tessa R., Ahmadi, Mahshid, Ievlev, Anton V., Jesse, Stephen, Retterer, Scott T., Belianinov, Alex, Xiao, Kai, Huang, Jingsong, Sumpter, Bobby G., Kalinin, Sergei V., Hu, Bin, Ovchinnikova, Olga S.

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Low-Frequency Interlayer Breathing Modes in Few-Layer Black Phosphorus von Ling, Xi, Liang, Liangbo, Huang, Shengxi, Puretzky, Alexander A, Geohegan, David B, Sumpter, Bobby G, Kong, Jing, Meunier, Vincent, Dresselhaus, Mildred S

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Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals von Burns, Lori A., Mayagoitia, Álvaro Vázquez, Sumpter, Bobby G., Sherrill, C. David

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Alloy Engineering of Defect Properties in Semiconductors: Suppression of Deep Levels in Transition-Metal Dichalcogenides von Huang, Bing, Yoon, Mina, Sumpter, Bobby G, Wei, Su-Huai, Liu, Feng

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Unique chemical reactivity of a graphene nanoribbon's zigzag edge von Jiang, De-en, Sumpter, Bobby G., Dai, Sheng

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Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites von Cheng, Shiwang, Xie, Shi-Jie, Carrillo, Jan-Michael Y, Carroll, Bobby, Martin, Halie, Cao, Peng-Fei, Dadmun, Mark D, Sumpter, Bobby G, Novikov, Vladimir N, Schweizer, Kenneth S, Sokolov, Alexei P

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Enhanced Raman Scattering on In-Plane Anisotropic Layered Materials von Lin, Jingjing, Liang, Liangbo, Ling, Xi, Zhang, Shuqing, Mao, Nannan, Zhang, Na, Sumpter, Bobby G, Meunier, Vincent, Tong, Lianming, Zhang, Jin

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Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance von Feng, Guang, Qiao, Rui, Huang, Jingsong, Sumpter, Bobby G, Meunier, Vincent

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Controlling Interfacial Dynamics: Covalent Bonding versus Physical Adsorption in Polymer Nanocomposites von Holt, Adam P, Bocharova, Vera, Cheng, Shiwang, Kisliuk, Alexander M, White, B. Tyler, Saito, Tomonori, Uhrig, David, Mahalik, J. P, Kumar, Rajeev, Imel, Adam E, Etampawala, Thusitha, Martin, Halie, Sikes, Nicole, Sumpter, Bobby G, Dadmun, Mark D, Sokolov, Alexei P

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Directing Matter: Toward Atomic-Scale 3D Nanofabrication von Jesse, Stephen, Borisevich, Albina Y, Fowlkes, Jason D, Lupini, Andrew R, Rack, Philip D, Unocic, Raymond R, Sumpter, Bobby G, Kalinin, Sergei V, Belianinov, Alex, Ovchinnikova, Olga S

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Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging von He, Yadong, Qiao, Rui, Vatamanu, Jenel, Borodin, Oleg, Bedrov, Dmitry, Huang, Jingsong, Sumpter, Bobby G

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Isotope-Engineering the Thermal Conductivity of Two-Dimensional MoS2 von Li, Xufan, Zhang, Jingjie, Puretzky, Alexander A, Yoshimura, Anthony, Sang, Xiahan, Cui, Qiannan, Li, Yuanyuan, Liang, Liangbo, Ghosh, Avik W, Zhao, Hui, Unocic, Raymond R, Meunier, Vincent, Rouleau, Christopher M, Sumpter, Bobby G, Geohegan, David B, Xiao, Kai

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