no code implementations • 3 Jun 2021 • Di Bo, Hoon Hwangbo, Vinit Sharma, Corey Arndt, Stephanie C. TerMaath
An analysis of high-dimensional data can offer a detailed description of a system but is often challenged by the curse of dimensionality.
2 code implementations • 3 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
no code implementations • 2 Oct 2019 • Kamal Choudhary, Kevin F. Garrity, Vinit Sharma, Adam J. Biacchi, Angela R. Hight Walker, Francesca Tavazza
Many technological applications depend on the response of materials to electric fields, but available databases of such responses are limited.
Materials Science