Search Results for author: Xiaofeng Qian

Found 2 papers, 1 papers with code

The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

2 code implementations3 Jul 2020 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

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.

Materials Science Computational Physics

Graph Neural Network for Hamiltonian-Based Material Property Prediction

no code implementations27 May 2020 Hexin Bai, Peng Chu, Jeng-Yuan Tsai, Nathan Wilson, Xiaofeng Qian, Qimin Yan, Haibin Ling

Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties.

Band Gap

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