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Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111) 期刊论文
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;  Karsai, Ferenc;  Chen, Xing-Qiu;  Kresse, Georg
收藏  |  浏览/下载：7/0  |  提交时间：2024/01/07
Phase transitions of zirconia: Machine-learned force fields beyond density functional theory 期刊论文
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：93/0  |  提交时间：2022/07/01
Relativistic GW plus BSE study of the optical properties of Ruddlesden-Popper iridates 期刊论文
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;  Franchini, Cesare
收藏  |  浏览/下载：107/0  |  提交时间：2021/02/02
GW100: A Plane Wave Perspective for Small Molecules 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 635-648
作者:  Maggio, Emanuele;  Liu, Peitao;  van Setten, Michiel J.;  Kresse, Georg;  Kresse, G (reprint author), Univ Vienna, Fac Phys, Sensengasse 8-12, A-1090 Vienna, Austria.;  Kresse, G (reprint author), Univ Vienna, Ctr Computat Mat Sci, Sensengasse 8-12, A-1090 Vienna, Austria.
收藏  |  浏览/下载：118/0  |  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
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;  Sarma, D. D.;  Chen, Xing-Qiu;  Franchini, Cesare
收藏  |  浏览/下载：120/0  |  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
PHYSICAL REVIEW B, 2015, 卷号: 92, 期号: 5, 页码: -
作者:  Liu, Peitao;  Khmelevskyi, Sergii;  Kim, Bongjae;  Marsman, Martijn;  Li, Dianzhong;  Chen, Xing-Qiu;  Sarma, D. D.;  Kresse, Georg;  Franchini, Cesare;  cesare.franchini@univie.ac.at
收藏  |  浏览/下载：107/0  |  提交时间：2016/04/21