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3篇 您的检索式:作者名="Gowoon Cheon"
    题名 作者 年代 出处 被引量
1The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design显示文摘The Joint Automated Repository for Various Integrated Simulations(JARVIS)is an integrated infrastructure to accelerate materials discovery and design using density functional theory(DFT),classical force-fields(FF),and machine learning(ML)techniques.JARVIS is motivated by the Materials Genome Initiative(MGI)principles of developing open-access databases and tools to reduce the cost and development time of materials discovery,optimization,and deployment.Kamal Choudhary Kevin F.Garrity Andrew C.E.Reid Brian DeCost Adam J.Biacchi Angela R.Hight Walker Zachary Trautt Jason Hattrick-Simpers A.Gilad Kusne Andrea Centrone Albert Davydov Jie Jiang Ruth Pachter Gowoon Cheon Evan Reed Ankit Agrawal Xiaofeng Qian Vinit Sharma Houlong Zhuang Sergei V.Kalinin Bobby G.Sumpter Ghanshyam Pilania Pinar Acar Subhasish Mandal Kristjan Haule David Vanderbilt Karin Rabe Francesca Tavazza 2020npj Computational Materials2020,,1:10
2Detection of homodimer formation of CD99 through extracelluar domain using bimolecular fluorescence complementation analysis显示文摘Gowoon Choi Sang Wook Lee Kyoung Cheon Jung 2007Experimental and Molecular Medicine2007,39,6:1
3Predicting the synthesizability of crystalline inorganic materials from the data of known material compositions显示文摘Reliably identifying synthesizable inorganic crystalline materials is an unsolved challenge required for realizing autonomous materials discovery.In this work,we develop a deep learning synthesizability model(SynthNN)that leverages the entire space of synthesized inorganic chemical compositions.By reformulating material discovery as a synthesizability classification task,SynthNN identifies synthesizable materials with 7×higher precision than with DFT-calculated formation energies.In a head-to-head material discovery comparison against 20 expert material scientists,SynthNN outperforms all experts,achieves 1.5×higher precision and completes the task five orders of magnitude faster than the best human expert.Remarkably,without any prior chemical knowledge,our experiments indicate that SynthNN learns the chemical principles of charge-balancing,chemical family relationships and ionicity,and utilizes these principles to generate synthesizability predictions.The development of SynthNN will allow for synthesizability constraints to be seamlessly integrated into computational material screening workflows to increase their reliability for identifying synthetically accessible materials.Evan R.Antoniuk Gowoon Cheon George Wang Daniel Bernstein William Cai Evan J.Reed 2023npj Computational Materials2023,,1:0
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