Search Results for author: Houlong Zhuang

Found 2 papers, 1 papers with code

Topological Transformations in Pentagonal 2D Materials Induced by Stone-Wales Defects

no code implementations22 Dec 2020 Yu Zheng, Duyu Chen, Lei Liu, Houlong Zhuang, Yang Jiao

We discover two distinct topological pathways through which the pentagonal Cairo tiling (P5), a structural model for single-layer $AB_2$ pyrite materials, respectively transforms into a crystalline rhombus-hexagon (C46) tiling and random rhombus-pentagon-hexagon (R456) tilings, by continuously introducing the Stone-Wales (SW) topological defects.

Soft Condensed Matter Disordered Systems and Neural Networks Materials Science

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

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