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Machine-learning atomic simulation for heterogeneous catalysis
Author: Chen, Dongxiao; Shang, Cheng; Liu, Zhi-Pan
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-022-00959-5
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Predicting lattice thermal conductivity via machine learning: a mini review
Author: Luo, Yufeng; Li, Mengke; Yuan, Hongmei; Liu, Huijun; Fang, Ying
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-00964-2
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In-plane ferroelectric tunnel junctions based on 2D alpha-In2Se3/semiconductor heterostructures
Author: Liu, Zifang; Hou, Pengfei; Sun, Lizhong; Tsymbal, Evgeny Y.; Jiang, Jie; Yang, Qiong
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-022-00953-x
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Shift current response in elemental two-dimensional ferroelectrics
Author: Qian, Zhuang; Zhou, Jian; Wang, Hua; Liu, Shi
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-01026-3
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Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials
Author: Yuan, Xiaoze; Zhou, Yuwei; Peng, Qing; Yang, Yong; Li, Yongwang; Wen, Xiaodong
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-00967-z
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A generative deep learning framework for inverse design of compositionally complex bulk metallic glasses
Author: Zhou, Ziqing; Shang, Yinghui; Liu, Xiaodi; Yang, Yong
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-00968-y
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Quantum anomalous hall effect in collinear antiferromagnetism
Author: Guo, Peng-Jie; Liu, Zheng-Xin; Lu, Zhong-Yi
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-01025-4
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Tunable sliding ferroelectricity and magnetoelectric coupling in two-dimensional multiferroic MnSe materials
Author: Liu, Kehan; Ma, Xikui; Xu, Shuoke; Li, Yangyang; Zhao, Mingwen
Journal: NPJ COMPUTATIONAL MATERIALS. 2023; Vol. 9, Issue 1, pp. -. DOI: 10.1038/s41524-023-00972-2