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The last 5 uploaded publications
Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
Carla Verdi, Ferenc Karsai, Peitao Liu, Ryosuke Jinnouchi, Kresse Georg (2021). Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials. npj Computational Materials, 7(1), DOI: 10.1038/s41524-021-00630-5.
Article426 days agoGW for transition metal oxide perovskites
Zeynep Ergönenc, Bongjae Kim, Peitao Liu, Kresse Georg, Cesare Franchini (2017). GW for transition metal oxide perovskites. Bulletin of the American Physical Society, 2017
Article409 days ago<i>GW</i>100: A Plane Wave Perspective for Small Molecules
Emanuele Maggio, Peitao Liu, Michiel J. van Setten, Kresse Georg (2017). <i>GW</i>100: A Plane Wave Perspective for Small Molecules. Journal of Chemical Theory and Computation, 13(2), pp. 635-648, DOI: 10.1021/acs.jctc.6b01150.
Article420 days agoPhase transitions of zirconia: Machine-learned force fields beyond density functional theory
Peitao Liu, Carla Verdi, Ferenc Karsai, Kresse Georg (2022). Phase transitions of zirconia: Machine-learned force fields beyond density functional theory. Physical review. B./Physical review. B, 105(6), DOI: 10.1103/physrevb.105.l060102.
Article420 days agoCombining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111)
Peitao Liu, Jian-Tao Wang, Noah Avargues, Carla Verdi, Andreas Singraber, Ferenc Karsai, Xing‐Qiu Chen, Kresse Georg (2023). Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111). Physical Review Letters, 130(7), DOI: 10.1103/physrevlett.130.078001.
Article420 days ago