中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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浏览/检索结果: 共6条,第1-6条 帮助

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Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111) 期刊论文  OAI收割
PHYSICAL REVIEW LETTERS, 2023, 卷号: 130, 期号: 130, 页码: 6
作者:  
Liu, Peitao;  Wang, Jiantao;  Avargues, Noah;  Verdi, Carla;  Singraber, Andreas
  |  收藏  |  浏览/下载:4/0  |  提交时间:2024/01/07
Phase transitions of zirconia: Machine-learned force fields beyond density functional theory 期刊论文  OAI收割
PHYSICAL REVIEW B, 2022, 卷号: 105, 期号: 6, 页码: 6
作者:  
Liu, Peitao;  Verdi, Carla;  Karsai, Ferenc;  Kresse, Georg
  |  收藏  |  浏览/下载:31/0  |  提交时间:2022/07/01
Relativistic GW plus BSE study of the optical properties of Ruddlesden-Popper iridates 期刊论文  OAI收割
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 7, 页码: 13
作者:  
Liu, Peitao;  Kim, Bongjae;  Chen, Xing-Qiu;  Sarma, D. D.;  Kresse, Georg
  |  收藏  |  浏览/下载:23/0  |  提交时间:2021/02/02
GW100: A Plane Wave Perspective for Small Molecules 期刊论文  OAI收割
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 635-648
Maggio, Emanuele; Liu, Peitao; van Setten, Michiel J.; Kresse, Georg
收藏  |  浏览/下载:23/0  |  提交时间:2017/08/17
Electron and hole doping in the relativistic Mott insulator Sr2IrO4: A first-principles study using band unfolding technique 期刊论文  OAI收割
PHYSICAL REVIEW B, 2016, 卷号: 94, 期号: 19, 页码: 9
作者:  
Liu, Peitao;  Reticcioli, Michele;  Kim, Bongjae;  Continenza, Alessandra;  Kresse, Georg
  |  收藏  |  浏览/下载:12/0  |  提交时间:2021/02/02
Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr2IrO4 by magnetically constrained noncollinear DFT 期刊论文  OAI收割
PHYSICAL REVIEW B, 2015, 卷号: 92, 期号: 5, 页码: -
Liu, Peitao; Khmelevskyi, Sergii; Kim, Bongjae; Marsman, Martijn; Li, Dianzhong; Chen, Xing-Qiu; Sarma, D. D.; Kresse, Georg; Franchini, Cesare
收藏  |  浏览/下载:18/0  |  提交时间:2016/04/21