Search Results for author: Gowoon Cheon

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

Dataset of Random Relaxations for Crystal Structure Search of Li-Si System

no code implementations5 Dec 2020 Gowoon Cheon, Lusann Yang, Kevin McCloskey, Evan J. Reed, Ekin D. Cubuk

We illustrate the usage of the dataset by training graph neural networks to predict structural relaxations from randomly generated structures.

Data Augmentation Domain Generalization

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