E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials von Batzner, Simon, Musaelian, Albert, Sun, Lixin, Geiger, Mario, Mailoa, Jonathan P., Kornbluth, Mordechai, Molinari, Nicola, Smidt, Tess E., Kozinsky, Boris

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Learning local equivariant representations for large-scale atomistic dynamics von Musaelian, Albert, Batzner, Simon, Johansson, Anders, Sun, Lixin, Owen, Cameron J., Kornbluth, Mordechai, Kozinsky, Boris

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Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture von Park, Cheol Woo, Kornbluth, Mordechai, Vandermause, Jonathan, Wolverton, Chris, Kozinsky, Boris, Mailoa, Jonathan P.

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Resistance to fracture in the glassy solid electrolyte Lipon von Kalnaus, Sergiy, Westover, Andrew S., Kornbluth, Mordechai, Herbert, Erik, Dudney, Nancy J.

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A community-powered search of machine learning strategy space to find NMR property prediction models von Bratholm, Lars A, Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Dang, Lam, Hanchar, Pavel, Howard, Addison, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P, Nguyen, Thanh Tu, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H, Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P, Glowacki, David R

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A fast neural network approach for direct covariant forces prediction in complex multi-element extended systems von Mailoa, Jonathan P., Kornbluth, Mordechai, Batzner, Simon, Samsonidze, Georgy, Lam, Stephen T., Vandermause, Jonathan, Ablitt, Chris, Molinari, Nicola, Kozinsky, Boris

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Light-induced electronic non-equilibrium in plasmonic particles von Kornbluth, Mordechai, Nitzan, Abraham, Seideman, Tamar

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Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport von Molinari, Nicola, Xie, Yu, Leifer, Ian, Marcolongo, Aris, Kornbluth, Mordechai, Kozinsky, Boris

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Uncertainties of coherent states for a generalized supersymmetric annihilation operator von Kornbluth, Mordechai, Zypman, Fredy

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Learning local equivariant representations for large-scale atomistic dynamics von Musaelian, Albert, Batzner, Simon, Johansson, Anders, Sun, Lixin, Owen, Cameron J., Kornbluth, Mordechai, Kozinsky, Boris

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Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions von Shmilovich, Kirill, Willmott, Devin, Batalov, Ivan, Kornbluth, Mordechai, Mailoa, Jonathan, Kolter, J. Zico

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Negentropy Generation and Fractality in the Dry Friction of Polished Surfaces von Fleurquin, Pablo, Fort, Hugo, Kornbluth, Mordechai, Sandler, Roman, Segall, Mordecai, Zypman, Fredy

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Resistance to fracture in the glassy solid electrolyte Lipon von Kalnaus, Sergiy, Westover, Andrew, Kornbluth, Mordechai, Herbert, Erik G., Dudney, Nancy

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Medium-Range Ordering in the Ionic Glass Electrolytes LiPON and LiSiPON von Westover, Andrew S., Kornbluth, Mordechai, Egami, Takeshi, Liu, Jue, Kalnaus, Sergiy, Ma, Dong, Kercher, Andrew K., Neuefeind, Joerg C., Everett, Michelle, Torres, Victor, Martin, Steve W., Kozinsky, Boris, Dudney, Nancy J.

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Electronic structure manipulation composition tuning for the development of highly conductive and acid-stable oxides von Byeon, Young-Woon, Mailoa, Jonathan, Kornbluth, Mordechai, Lee, Gi-Hyeok, Cai, Zijian, Sun, Yingzhi, Yang, Wanli, Johnston, Christina, Christensen, Jake, Kim, Soo, Cheng, Lei, Kim, Haegyeom

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Electronic structure manipulation via composition tuning for the development of highly conductive and acid-stable oxides von Byeon, Young-Woon, Mailoa, Jonathan, Kornbluth, Mordechai, Lee, Gi-Hyeok, Cai, Zijian, Sun, Yingzhi, Yang, Wanli, Johnston, Christina, Christensen, Jake, Kim, Soo, Cheng, Lei, Kim, Haegyeom

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Plasma Synthesis of Spherical Crystalline and Amorphous Electrolyte Nanopowders for Solid-State Batteries von Westover, Andrew S, Kercher, Andrew K, Kornbluth, Mordechai, Naguib, Michael, Palmer, Max J, Cullen, David A, Dudney, Nancy J

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Origin of Spinel Nanocheckerboards via First Principles von Kornbluth, Mordechai, Marianetti, Chris A

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Electronic structure manipulation via composition tuning for the development of highly conductive and acid-stable oxides von Byeon, Young-Woon, Mailoa, Jonathan, Kornbluth, Mordechai, Lee, Gi-Hyeok, Cai, Zijian, Sun, Yingzhi, Yang, Wanli, Johnston, Christina, Christensen, Jake, Kim, Soo, Cheng, Lei, Kim, Haegyeom

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Group theoretical approach to computing phonons and their interactions von Fu, Lyuwen, Kornbluth, Mordechai, Cheng, Zhengqian, Marianetti, Chris A.

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