1 code implementation • 27 Dec 2023 • Hengrui Zhang, Jie Chen, James M. Rondinelli, Wei Chen
This complexity is particularly evident in molecular mixtures, a frequently explored space for materials such as battery electrolytes.
1 code implementation • 15 Nov 2022 • Hengrui Zhang, Wei Wayne Chen, James M. Rondinelli, Wei Chen
To mitigate the bias, we develop an entropy-targeted active learning (ET-AL) framework, which guides the acquisition of new data to improve the diversity of underrepresented crystal systems.
no code implementations • 11 Feb 2021 • Alexander C. Tyner, Shouvik Sur, Qunfei Zhou, Danilo Puggioni, Pierre Darancet, James M. Rondinelli, Pallab Goswami
Band topology of anomalous quantum Hall insulators can be precisely addressed by computing Chern numbers of constituent non-degenerate bands that describe quantized, Abelian Berry flux through two-dimensional Brillouin zone.
Materials Science Disordered Systems and Neural Networks Mesoscale and Nanoscale Physics Strongly Correlated Electrons High Energy Physics - Theory
no code implementations • 18 Nov 2020 • Rui Zu, Mingqiang Gu, Lujin Min, Chaowei Hu, Ni Ni, Zhiqiang Mao, James M. Rondinelli, Venkatraman Gopalan
Both linear and nonlinear optical properties have been reported to reveal Weyl physics.
Materials Science
2 code implementations • 26 Oct 2020 • Alexandru B. Georgescu, Peiwen Ren, Aubrey R. Toland, Elsa A. Olivetti, Nicholas Wagner, James M. Rondinelli
Metal-insulator transition (MIT) compounds are materials that may exhibit insulating or metallic behavior, depending on the physical conditions, and are of immense fundamental interest owing to their potential applications in emerging microelectronics.
Materials Screening Materials Science Strongly Correlated Electrons