Construction of ground-state preserving sparse lattice models for predictive materials simulations

par Wenxuan Huang, Alexander Urban, Ziqin Rong, Zhiwei Ding, Chuan Luo, Gerbrand Ceder
Publié 2017

Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures

par Jose Antonio Garrido Torres, Vahe Gharakhanyan, Nongnuch Artrith, Tobias Hoffmann Eegholm, Alexander Urban
Publié 2021

Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries

par Huiwen Ji, Alexander Urban, Daniil A. Kitchaev, Deok-Hwang Kwon, Nongnuch Artrith, Colin Ophus, Wenxuan Huang, Zijian Cai, Tan Shi, Jae Chul Kim, Haegyeom Kim, Gerbrand Ceder
Publié 2019